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1-Phenylthio-2-formylcyclohexene
SpectraBase Compound ID Ft8FqcmajuO
InChI InChI=1S/C13H14OS/c14-11-13(9-5-2-6-10-13)15-12-7-3-1-4-8-12/h1,3-5,7-9,11H,2,6,10H2
InChIKey UBLLAEKCVVEGIS-UHFFFAOYSA-N
Mol Weight 218.31 g/mol
Molecular Formula C13H14OS
Exact Mass 218.076536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K9HQMVnMcw0
Name 1-Phenylthio-2-formylcyclohexene
Alternate Name(s) 2-(phenylsulfanyl)-1-cyclohexene-1-carbaldehyde 2-(phenylthio)-1-cyclohexenecarboxaldehyde 2-(phenylthio)cyclohexene-1-carbaldehyde 2-phenylsulfanylcyclohexene-1-carbaldehyde 3-Phenylthio-3-formylcyclohexene
Comments Less than 3 mono-isotopic peaks
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Formula C13H14OS
InChI InChI=1S/C13H14OS/c14-11-13(9-5-2-6-10-13)15-12-7-3-1-4-8-12/h1,3-5,7-9,11H,2,6,10H2
InChIKey UBLLAEKCVVEGIS-UHFFFAOYSA-N
Molecular Weight 218.314 g/mol
SMILES C1(Sc2ccccc2)(C=CCCC1)C=O
SPLASH splash10-000i-0900000000-e58508666809f7eea8a7
Source of Spectrum AJ-65-2971-5
Wiley ID 771781