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6,7,25,26-tetrakis(methylsulfanyl)hentriacontane
SpectraBase Compound ID JpaRL4VpvF9
InChI InChI=1S/C35H72S4/c1-7-9-24-28-32(36-3)34(38-5)30-26-22-20-18-16-14-12-11-13-15-17-19-21-23-27-31-35(39-6)33(37-4)29-25-10-8-2/h32-35H,7-31H2,1-6H3
InChIKey WQHKMNVKTAAHES-UHFFFAOYSA-N
Mol Weight 621.2 g/mol
Molecular Formula C35H72S4
Exact Mass 620.451687 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HnOA5659F2h
Name 6,7,25,26-tetrakis(methylsulfanyl)hentriacontane
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H72S4
GC Oven Program Oven temp 320oC, Splitless injector
InChI InChI=1S/C35H72S4/c1-7-9-24-28-32(36-3)34(38-5)30-26-22-20-18-16-14-12-11-13-15-17-19-21-23-27-31-35(39-6)33(37-4)29-25-10-8-2/h32-35H,7-31H2,1-6H3
InChIKey WQHKMNVKTAAHES-UHFFFAOYSA-N
Instrument Name Agilent 6890-5973
Ionization Type EI
Literature Reference DOI 10.1002/rcm.9228
Molecular Weight 621.201 g/mol
SMILES CCCCCC(C(CCCCCCCCCCCCCCCCCC(C(CCCCC)SC)SC)SC)SC
SPLASH splash10-00dj-9303100000-5d44ffcca40145590ab7
Source of Spectrum RCM-36-SM7-Fig S6 D-2
Wiley ID 1879679