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2-(Phenylmethyl)sulfonylacetonitrile
SpectraBase Compound ID BRUW01PoNva
InChI InChI=1S/C9H9NO2S/c10-6-7-13(11,12)8-9-4-2-1-3-5-9/h1-5H,7-8H2
InChIKey QZXGIJOYMLEXAP-UHFFFAOYSA-N
Mol Weight 195.24 g/mol
Molecular Formula C9H9NO2S
Exact Mass 195.0354 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C1pXO5sa53f
Name 2-(Phenylmethyl)sulfonylacetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NO2S
InChI InChI=1S/C9H9NO2S/c10-6-7-13(11,12)8-9-4-2-1-3-5-9/h1-5H,7-8H2
InChIKey QZXGIJOYMLEXAP-UHFFFAOYSA-N
Molecular Weight 195.236 g/mol
SMILES C(S(=O)(=O)Cc1ccccc1)C#N
SPLASH splash10-0006-9000000000-0053800233d49dc17746
Source of Spectrum JA-49-243-0
Synonyms 2-(Phenylmethyl)sulfonylethanenitrile 2-Benzylsulfonylacetonitrile
Wiley ID 1191823