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(E)-7,8-bis(methylsulfanyl)nonacos-11-ene
SpectraBase Compound ID EEKAdgr8zcM
InChI InChI=1S/C31H62S2/c1-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-29-31(33-4)30(32-3)28-26-10-8-6-2/h24-25,30-31H,5-23,26-29H2,1-4H3/b25-24+
InChIKey JWOUXFQTEMDYIW-OCOZRVBESA-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 2SWi47D8djN
Name (E)-7,8-bis(methylsulfanyl)nonacos-11-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/c1-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-29-31(33-4)30(32-3)28-26-10-8-6-2/h24-25,30-31H,5-23,26-29H2,1-4H3/b25-24+
InChIKey JWOUXFQTEMDYIW-OCOZRVBESA-N
Instrument Name Agilent 6890-5973
Ionization Type EI
Literature Reference DOI 10.1002/rcm.9228
Molecular Weight 498.957 g/mol
SMILES CCCCCCC(C(CC\C=C\CCCCCCCCCCCCCCCCC)SC)SC
SPLASH splash10-0f6t-9401100000-007df6fe732dbf4c4b78
Source of Spectrum RCM-36-SM4-Fig S3 d
Wiley ID 1879673