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(p-tolylsulfonyl)acetonitrile
SpectraBase Compound ID 2fr6yf4RKfb
InChI InChI=1S/C9H9NO2S/c1-8-2-4-9(5-3-8)13(11,12)7-6-10/h2-5H,7H2,1H3
InChIKey BBNNLJMGPASZPD-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 38aiI4GrHLz
Name p-Toluenesulfonylacetonitrile
Alternate Name(s) 2-Tosylacetonitrile p-Tolylsulfonylacetonitrile 4-Toluenesulfonylacetonitrile Acetonitrile, [(4-methylphenyl)sulfonyl]- [(4-Methylphenyl)sulfonyl]acetonitrile p-Toluenesulphonylacetonitrile 2-(4-Methylphenyl)sulfonylacetonitrile 2-(p-tolylsulfonyl)acetonitrile 2-(4-Methylphenyl)sulfonylethanenitrile
CAS Registry Number 5697-44-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NO2S
InChI InChI=1S/C9H9NO2S/c1-8-2-4-9(5-3-8)13(11,12)7-6-10/h2-5H,7H2,1H3
InChIKey BBNNLJMGPASZPD-UHFFFAOYSA-N
Molecular Weight 195.236 g/mol
SMILES Cc1ccc(cc1)S(=O)(=O)CC#N
SPLASH splash10-052f-9400000000-fd0c9308f8962946560c
Source of Spectrum JX-2015-5-411
Wiley ID 1727233