| id |
molid |
isotopid |
pressure |
temperature |
numpoints |
point_spacing |
start_freq |
end_freq |
filename |
comments |
chemical_symbol |
spectrum |
id |
Display | 82622801 | 0 | 0 | 1 | 298.16 | 108688 | 0.0602648041440099 | 549.976759 | 7099.977527 | AceticAcid_25T.sorted.TXT | PNNL Spectra from Jeremy | CH3COOH | 82622802 | 82622801 |
Display | 82622803 | 0 | 0 | 1 | 278.16 | 97902 | 0.0602646897886641 | 599.995273 | 6499.968668 | BENZENE_5T.sorted.TXT | PNNL Spectra from Jeremy | C6H6 | 82622804 | 82622803 |
Display | 83378614 | 0 | 0 | 1 | 278.16 | 97903 | 0.0602648331086188 | 599.997855 | 6500.045546 | C2Cl4_5T.sorted.TXT | PNNL Spectra from Jeremy | C2Cl4 | 83378615 | 83378614 |
Display | 82622805 | 0 | 0 | 1 | 278.16 | 98732 | 0.0602648071730257 | 549.976628 | 6499.981305 | C4F8_FC318_5T.sorted.TXT | PNNL Spectra from Jeremy | C4F8 | 82622806 | 82622805 |
Display | 82622807 | 0 | 0 | 1 | 278.16 | 97903 | 0.0602645296112439 | 599.994538 | 6500.012516 | CBrClF2.sorted.TXT | PNNL Spectra from Jeremy | CBrClF2 | 82622808 | 82622807 |
Display | 82622809 | 0 | 0 | 1 | 278.16 | 99396 | 0.0602645296141657 | 510.019595 | 6500.012516 | CBrF3_F13B1_5T.sorted.TXT | PNNL Spectra from Jeremy | CBrF3 | 82622810 | 82622809 |
Display | 83378610 | 0 | 0 | 1 | 278.16 | 73013 | 0.0602646267051991 | 599.994623 | 5000.035548 | CCl2F2_5T.sorted.TXT | PNNL Spectra from Jeremy | CCl2F2 | 83378611 | 83378610 |
Display | 83378612 | 0 | 0 | 1 | 278.16 | 98401 | 0.0602645296138211 | 569.982802 | 6500.012516 | CF4_5T.sorted.TXT | PNNL Spectra from Jeremy | CF4 | 83378613 | 83378612 |
Display | 82622811 | 0 | 0 | 1 | 278.16 | 97902 | 0.0602645415368587 | 599.994293 | 6499.953174 | CH2Cl2_DCLM_5T.sorted.TXT | PNNL Spectra from Jeremy | CH2Cl2 | 82622812 | 82622811 |
Display | 82622813 | 0 | 0 | 1 | 278.16 | 99562 | 0.0602645296150099 | 500.015683 | 6500.012516 | CH3CCl3_TCE111_5T.sorted.TXT | PNNL Spectra from Jeremy | CH3CCl3 | 82622814 | 82622813 |
Display | 82622815 | 0 | 0 | 1 | 278.16 | 99396 | 0.0602645296141657 | 510.019595 | 6500.012516 | CH3CHO_5T.sorted.TXT | PNNL Spectra from Jeremy | CH3CHO | 82622816 | 82622815 |
Display | 82872605 | 0 | 0 | 1 | 278.16 | 111177 | 0.0602645296107073 | 599.994538 | 7299.963882 | CHCL2F_5T.sorted.TXT | PNNL Spectra from Jeremy | CHCl2F | 82872606 | 82872605 |
Display | 82622817 | 0 | 0 | 1 | 278.16 | 97985 | 0.0602645415373939 | 594.992336 | 6499.953174 | CHClCCl2_TCE_5T.sorted.TXT | PNNL Spectra from Jeremy | CHClCCl2 | 82622818 | 82622817 |
Display | 484300335 | 0 | 0 | 0.921052631578947 | 296 | 3560 | 0.241053811659185 | 640.02 | 1497.93051569504 | CHF2CH2CF3_296.0_sorted.txt | | CHF2CH2CF3 | 485349001 | 484300335 |
Display | 82622819 | 0 | 0 | 1 | 278.16 | 109850 | 0.0602645296088267 | 579.986714 | 7199.985027 | CHLOROFORM_5T.sorted.TXT | PNNL Spectra from Jeremy | CHCl3 | 82622820 | 82622819 |
Display | 82622821 | 0 | 0 | 1 | 278.16 | 98235 | 0.0602646736364192 | 579.988077 | 6500.028027 | Diacetyl_23BUTDI_5T.sorted.TXT | PNNL Spectra from Jeremy | C4H6O2 | 82622822 | 82622821 |
Display | 100433757 | 0 | 0 | 0.00131578947368421 | 5 | 97902 | 0.0602648071725519 | 599.996418 | 6499.981305 | F218_5T.sorted.TXT | | C3F8 | 100433758 | 100433757 |
Display | 82622823 | 0 | 0 | 1 | 278.16 | 98732 | 0.0602648529945002 | 549.977177 | 6499.986378 | FURAN_5T.sorted.TXT | PNNL Spectra from Jeremy | C4H4O | 82622824 | 82622823 |
Display | 82622825 | 0 | 0 | 1 | 278.16 | 97903 | 0.0602646736430308 | 599.995948 | 6500.028027 | GLYOXAL_5T.sorted.TXT | PNNL Spectra from Jeremy | C2H2O2 | 82622826 | 82622825 |
Display | 82622827 | 0 | 0 | 1 | 298.16 | 107858 | 0.0602646736419518 | 500.016855 | 6999.98376 | HNCO_25T.sorted.TXT | PNNL Spectra from Jeremy | HNCO | 82622828 | 82622827 |
Display | 82622829 | 0 | 0 | 1 | 278.16 | 95911 | 0.0602648529976019 | 719.984327 | 6499.986378 | HNO3_5T.sorted.TXT | PNNL Spectra from Jeremy | HNO3 | 82622830 | 82622829 |
Display | 83882089 | 0 | 0 | 1 | 278.16 | 115326 | 0.0602646897897247 | 549.975581 | 7500.000931 | MeOH_5T.sorted.TXT | PNNL Spectra from Peter | CH3OH | 83882090 | 83882089 |
Display | 485349002 | 17 | 0 | 1 | 278.1 | 97910 | 0.0602645298358848 | 599.9945 | 6500.43435170164 | NF3_278.1K_760.0Torr.txt | Jun_2022 | NF3 | 485349003 | 485349002 |
Display | 485349004 | 17 | 0 | 1 | 298.1 | 97910 | 0.0602645298358848 | 599.9945 | 6500.43435170164 | NF3_298.1K_760.0Torr.txt | Jun_2022 | NF3 | 485349005 | 485349004 |
Display | 485349006 | 17 | 0 | 1 | 323.1 | 97910 | 0.0602645298358848 | 599.9945 | 6500.43435170164 | NF3_323.1K_760.0Torr.txt | Jun_2022 | NF3 | 485349007 | 485349006 |
Display | 82622831 | 0 | 0 | 1 | 298.16 | 98732 | 0.0602643811872664 | 550.035882 | 6499.998501 | NitrousAcid_HONO_25T.sorted.TXT | PNNL Spectra from Jeremy | HONO | 82622832 | 82622831 |
Display | 82622833 | 0 | 0 | 1 | 278.16 | 99146 | 0.0602645415401684 | 525.025203 | 6499.953174 | PROPENE_5T.sorted.TXT | PNNL Spectra from Jeremy | C3H6 | 82622834 | 82622833 |
Display | 82622835 | 0 | 0 | 1 | 278.16 | 99561 | 0.0602645415427883 | 500.015419 | 6499.953175 | SO2F2_5T.sorted.TXT | PNNL Spectra from Jeremy | SO2F2 | 82622836 | 82622835 |