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heptyl sulfide

View entire compound with spectra: 3 NMR, 2 FTIR, and 2 MS (GC)

heptyl sulfide
SpectraBase Compound ID KSeHfrdRou8
InChI InChI=1S/C14H30S/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-14H2,1-2H3
InChIKey LEMIDOZYVQXGLI-UHFFFAOYSA-N
Mol Weight 230.45 g/mol
Molecular Formula C14H30S
Exact Mass 230.206822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LBcElKlVmnW
Name Heptane, 1,1'-thiobis-
Alternate Name(s) 1-(Heptylsulfanyl)heptane 1-(Heptylthio)heptane Di-n-Heptyl sulfide Diheptyl sulfide Diheptyl sulphide Heptyl sulfide n-Heptyl sulfide Diheptylsulfane 1-Heptylsulfanylheptane AI3-18867 EINECS 211-101-6
CAS Registry Number 629-65-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H30S
InChI InChI=1S/C14H30S/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-14H2,1-2H3
InChIKey LEMIDOZYVQXGLI-UHFFFAOYSA-N
Molecular Weight 230.454 g/mol
SMILES CCCCCCCSCCCCCCC
SPLASH splash10-0a6u-9000000000-1ec439be9c1cd32b2042
Source of Spectrum JX-2015-0-889
Wiley ID 1720764