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(Z)-9,10-bis(methylsulfanyl)hentriacont-6-ene
SpectraBase Compound ID 67n48Bq9DNu
InChI InChI=1S/C33H66S2/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-27-29-31-33(35-4)32(34-3)30-28-26-12-10-8-6-2/h26,28,32-33H,5-25,27,29-31H2,1-4H3/b28-26-
InChIKey IIRWCDRGFGMECK-SGEDCAFJSA-N
Mol Weight 527.0 g/mol
Molecular Formula C33H66S2
Exact Mass 526.460594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1zd8L4WDQLa
Name (Z)-9,10-bis(methylsulfanyl)hentriacont-6-ene
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H66S2
GC Oven Program Oven temp 320oC, Splitless injector
InChI InChI=1S/C33H66S2/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-27-29-31-33(35-4)32(34-3)30-28-26-12-10-8-6-2/h26,28,32-33H,5-25,27,29-31H2,1-4H3/b28-26-
InChIKey IIRWCDRGFGMECK-SGEDCAFJSA-N
Instrument Name Agilent 6890-5973
Ionization Type EI
Literature Reference DOI 10.1002/rcm.9228
Molecular Weight 527.011 g/mol
SMILES CCCCC\C=C/CC(C(CCCCCCCCCCCCCCCCCCCCC)SC)SC
SPLASH splash10-001i-9202400000-e1ef11f0d70845844fb5
Source of Spectrum RCM-36-8-Fig 5A-1
Wiley ID 1879652