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Benzeneethanethiol, 4-methyl-.beta.-methylene-
SpectraBase Compound ID gihYdfEKmr
InChI InChI=1S/C10H12S/c1-8-3-5-10(6-4-8)9(2)7-11/h3-6,11H,2,7H2,1H3
InChIKey XOPCRDHOUMNQAQ-UHFFFAOYSA-N
Mol Weight 164.27 g/mol
Molecular Formula C10H12S
Exact Mass 164.065972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4zgAsiitIdF
Name Benzeneethanethiol, 4-methyl-.beta.-methylene-
Alternate Name(s) 2-(4-methylphenyl)-2-propene-1-thiol 2-(4-methylphenyl)-2-propenyl hydrosulfide 4-Methyl-.beta.-methylenebenzeneethanethiol
CAS Registry Number 88106-15-4
Comments Less than 3 mono-isotopic peaks
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Formula C10H12S
InChI InChI=1S/C10H12S/c1-8-3-5-10(6-4-8)9(2)7-11/h3-6,11H,2,7H2,1H3
InChIKey XOPCRDHOUMNQAQ-UHFFFAOYSA-N
Molecular Weight 164.266 g/mol
SMILES SCC(c1ccc(cc1)C)=C
SPLASH splash10-01ot-0900000000-7809d218a802f92bd668
Source of Spectrum J-49-443-2
Wiley ID 1160572