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3-[(benzylthio)methyl]-4-methyl-benzonitrile
SpectraBase Compound ID InQitA0r0BR
InChI InChI=1S/C16H15NS/c1-13-7-8-15(10-17)9-16(13)12-18-11-14-5-3-2-4-6-14/h2-9H,11-12H2,1H3
InChIKey WACNNTLVNILFEO-UHFFFAOYSA-N
Mol Weight 253.36 g/mol
Molecular Formula C16H15NS
Exact Mass 253.092521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2myqNASzHE
Name 3-[(benzylthio)methyl]-4-methyl-benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15NS
InChI InChI=1S/C16H15NS/c1-13-7-8-15(10-17)9-16(13)12-18-11-14-5-3-2-4-6-14/h2-9H,11-12H2,1H3
InChIKey WACNNTLVNILFEO-UHFFFAOYSA-N
Molecular Weight 253.363 g/mol
SMILES C(SCc1ccccc1)c1c(ccc(c1)C#N)C
SPLASH splash10-0udl-7590000000-dd06b095f7542256414a
Source of Spectrum E2-47-271-25
Synonyms 4-Methyl-3-[(phenylmethylsulfanyl)methyl]benzenecarbonitrile 4-Methyl-3-[(phenylmethylthio)methyl]benzonitrile 3-(benzylsulfanylmethyl)-4-methylbenzonitrile
Wiley ID 1554783