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Methyl 2-{o-[Cyano(phenylthio)methyl]phenyl}acetate
SpectraBase Compound ID GRjnpXUf9Cs
InChI InChI=1S/C17H15NO2S/c1-20-17(19)11-13-7-5-6-10-15(13)16(12-18)21-14-8-3-2-4-9-14/h2-10,16H,11H2,1H3
InChIKey FLHNITLCIYKBSA-UHFFFAOYSA-N
Mol Weight 297.37 g/mol
Molecular Formula C17H15NO2S
Exact Mass 297.08235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K0djG4Pp9jz
Name Methyl 2-{o-[Cyano(phenylthio)methyl]phenyl}acetate
Alternate Name(s) Methyl 2-(2-(cyano(phenylthio)methyl)phenyl)acetate
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Formula C17H15NO2S
InChI InChI=1S/C17H15NO2S/c1-20-17(19)11-13-7-5-6-10-15(13)16(12-18)21-14-8-3-2-4-9-14/h2-10,16H,11H2,1H3
InChIKey FLHNITLCIYKBSA-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol703058p
Molecular Weight 297.372 g/mol
SMILES c1cc(CC(OC)=O)c(C(Sc2ccccc2)C#N)cc1
SPLASH splash10-001r-3950000000-9e7e503004b6c09d5c0c
Source of Spectrum A1-10-693/SMS2-3c
Wiley ID 1759147