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(E)-11,12-bis(methylsulfanyl)nonacos-7-ene
SpectraBase Compound ID BUaHFNYrKVx
InChI InChI=1S/C31H62S2/c1-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31(33-4)30(32-3)28-26-24-22-14-12-10-8-6-2/h22,24,30-31H,5-21,23,25-29H2,1-4H3/b24-22+
InChIKey QVBQSAAZZDTKAD-ZNTNEXAZSA-N
Mol Weight 499.0 g/mol
Molecular Formula C31H62S2
Exact Mass 498.429294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AVneeqUsin5
Name (E)-11,12-bis(methylsulfanyl)nonacos-7-ene
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H62S2
GC Oven Program Oven temp 320oC, Splitless injector
InChI InChI=1S/C31H62S2/c1-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31(33-4)30(32-3)28-26-24-22-14-12-10-8-6-2/h22,24,30-31H,5-21,23,25-29H2,1-4H3/b24-22+
InChIKey QVBQSAAZZDTKAD-ZNTNEXAZSA-N
Instrument Name Agilent 6890-5973
Ionization Type EI
Literature Reference DOI 10.1002/rcm.9228
Molecular Weight 498.957 g/mol
SMILES CCCCCC\C=C\CCC(C(CCCCCCCCCCCCCCCCC)SC)SC
SPLASH splash10-0002-9440200000-a8c5e40c9c08ce0ab015
Source of Spectrum RCM-36-SM4-Fig S3 c
Wiley ID 1879672