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4-(p-tolylsulfonylmethyl)benzonitrile

View entire compound with spectra: 1 MS (GC)

4-(p-tolylsulfonylmethyl)benzonitrile
SpectraBase Compound ID JiZmUXjzbyt
InChI InChI=1S/C15H13NO2S/c1-12-2-8-15(9-3-12)19(17,18)11-14-6-4-13(10-16)5-7-14/h2-9H,11H2,1H3
InChIKey POWSRQJDCDYGKM-UHFFFAOYSA-N
Mol Weight 271.33 g/mol
Molecular Formula C15H13NO2S
Exact Mass 271.0667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ZpXN0IwAMD
Name 4-(p-tolylsulfonylmethyl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13NO2S
InChI InChI=1S/C15H13NO2S/c1-12-2-8-15(9-3-12)19(17,18)11-14-6-4-13(10-16)5-7-14/h2-9H,11H2,1H3
InChIKey POWSRQJDCDYGKM-UHFFFAOYSA-N
Molecular Weight 271.334 g/mol
SMILES c1(S(Cc2ccc(C#N)cc2)(=O)=O)ccc(cc1)C
SPLASH splash10-014i-0930000000-be8958971cb33a9de318
Source of Spectrum KC-0-540-27
Synonyms 4-(Tosylmethyl)benzonitrile 4-[(4-Methylphenyl)sulfonylmethyl]benzenecarbonitrile 4-{[(4-Methylphenyl)sulfonyl]methyl}benzonitrile
Wiley ID 820435