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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 IbgqFuUF5U4
Name 1-(Methylthio)octadecane
CAS Registry Number 40289-98-3
Comments Less than 3 mono-isotopic peaks
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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 C(SC)CCCCCCCCCCCCCCCCC
SPLASH splash10-0f79-0095000000-e1f1196c044ae9745868
Source of Spectrum OV-32-194-1
Synonyms Octadecane, 1-(methylthio)- 1-(Methylsulfanyl)octadecane 1-Methylsulfanyloctadecane Methyl octadecyl sulfide
Wiley ID 1577815