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(5E,9Z,12Z,15Z,18Z)-3-Thiahenicosa-5,9,12,15,18-pentaen-2-one

View entire compound with spectra: 1 MS (GC)

(5E,9Z,12Z,15Z,18Z)-3-Thiahenicosa-5,9,12,15,18-pentaen-2-one
SpectraBase Compound ID JdzavyLOtBX
InChI InChI=1S/C20H30OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h4-5,7-8,10-11,13-14,17-18H,3,6,9,12,15-16,19H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,18-17+
InChIKey YLODAJLHGUNNMN-MZESORTBSA-N
Mol Weight 318.52 g/mol
Molecular Formula C20H30OS
Exact Mass 318.201737 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A7G5brEb8CH
Name (5E,9Z,12Z,15Z,18Z)-3-Thiahenicosa-5,9,12,15,18-pentaen-2-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30OS
InChI InChI=1S/C20H30OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h4-5,7-8,10-11,13-14,17-18H,3,6,9,12,15-16,19H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,18-17+
InChIKey YLODAJLHGUNNMN-MZESORTBSA-N
Molecular Weight 318.519 g/mol
SMILES C(=O)(SC\C=C\CC\C=C/C\C=C/C\C=C/C\C=C/CC)C
SPLASH splash10-0006-9000000000-0a67adce1c072b442dbf
Source of Spectrum KC-0-2275-16
Synonyms S-[(2E,6Z,9Z,12Z,15Z)-octadeca-2,6,9,12,15-pentaenyl] ethanethioate
Wiley ID 831274