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Benzonitrile, 2-benzylthio-4-nitro-
SpectraBase Compound ID 4RGmaGXNejK
InChI InChI=1S/C14H10N2O2S/c15-9-12-6-7-13(16(17)18)8-14(12)19-10-11-4-2-1-3-5-11/h1-8H,10H2
InChIKey UOGBLHSENOPHFV-UHFFFAOYSA-N
Mol Weight 270.31 g/mol
Molecular Formula C14H10N2O2S
Exact Mass 270.046299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8pW5DY17J2q
Name Benzonitrile, 2-benzylthio-4-nitro-
Alternate Name(s) 2-(benzylthio)-4-nitro-benzonitrile 2-Benzylsulfanyl-4-nitro-benzonitrile 4-Nitro-2-(phenylmethylsulfanyl)benzenecarbonitrile 4-Nitro-2-(phenylmethylthio)benzonitrile
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Formula C14H10N2O2S
InChI InChI=1S/C14H10N2O2S/c15-9-12-6-7-13(16(17)18)8-14(12)19-10-11-4-2-1-3-5-11/h1-8H,10H2
InChIKey UOGBLHSENOPHFV-UHFFFAOYSA-N
Molecular Weight 270.306 g/mol
SMILES c1ccc(CSc2cc(N(=O)=O)ccc2C#N)cc1
SPLASH splash10-0006-9000000000-d7b7df7c61b7d636db1b
Wiley ID 1457604