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1-(Methylthio)octadecane

View entire compound with spectra: 3 MS (GC)

1-(Methylthio)octadecane
SpectraBase Compound ID FOgma7ELDnc
InChI InChI=1S/C19H40S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2/h3-19H2,1-2H3
InChIKey BNORDZYQJMGMRG-UHFFFAOYSA-N
Mol Weight 300.6 g/mol
Molecular Formula C19H40S
Exact Mass 300.285072 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CIuIoVT1eQM
Name 1-(Methylthio)octadecane
Alternate Name(s) Octadecane, 1-(methylthio)- 1-(Methylsulfanyl)octadecane 1-Methylsulfanyloctadecane Methyl octadecyl sulfide
CAS Registry Number 40289-98-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H40S
InChI InChI=1S/C19H40S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2/h3-19H2,1-2H3
InChIKey BNORDZYQJMGMRG-UHFFFAOYSA-N
Molecular Weight 300.589 g/mol
SMILES CCCCCCCCCCCCCCCCCCSC
SPLASH splash10-052f-9000000000-33a46711d16dfc20ea73
Source of Spectrum AD-0-3548-0
Wiley ID 44590