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2-[2-[(methylthio)methyl]-3-butenyl]cycloheptanone
SpectraBase Compound ID EC7sufzAD75
InChI InChI=1S/C13H22OS/c1-3-11(10-15-2)9-12-7-5-4-6-8-13(12)14/h3,11-12H,1,4-10H2,2H3
InChIKey SOKFPRKIMVJCPO-UHFFFAOYSA-N
Mol Weight 226.38 g/mol
Molecular Formula C13H22OS
Exact Mass 226.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DwiM9Kr3Mly
Name 2-[2-[(methylthio)methyl]-3-butenyl]cycloheptanone
CAS Registry Number 83720-23-4
Comments Less than 3 mono-isotopic peaks
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Formula C13H22OS
InChI InChI=1S/C13H22OS/c1-3-11(10-15-2)9-12-7-5-4-6-8-13(12)14/h3,11-12H,1,4-10H2,2H3
InChIKey SOKFPRKIMVJCPO-UHFFFAOYSA-N
Molecular Weight 226.378 g/mol
SMILES C1(C(CC(C=C)CSC)CCCCC1)=O
SPLASH splash10-03di-9020000000-e84f8a53b1db08fe6882
Source of Spectrum J-48-22-0
Synonyms 2-{2-[(methylsulfanyl)methyl]-3-butenyl}cycloheptanone
Wiley ID 1227526