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Benzonitrile, 4-(methylsulfonyl)-
SpectraBase Compound ID IW7ZdgGNk5L
InChI InChI=1S/C8H7NO2S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-5H,1H3
InChIKey FARXIDYHJAANGP-UHFFFAOYSA-N
Mol Weight 181.21 g/mol
Molecular Formula C8H7NO2S
Exact Mass 181.01975 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A2479ZzAcTq
Name Benzonitrile, 4-(methylsulfonyl)-
Alternate Name(s) 4-(CH3SO2)-C6H4-CN 4-Cyanophenyl Methyl Sulfone 4-Mesylbenzonitrile 4-Methylsulfonylbenzenecarbonitrile 4-Methylsulfonylbenzonitrile Benzonitrile, p-(methylsulfonyl)- 4-(Methylsulfonyl)benzonitrile p-Methanesulfonylbenzonitrile
CAS Registry Number 22821-76-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NO2S
InChI InChI=1S/C8H7NO2S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-5H,1H3
InChIKey FARXIDYHJAANGP-UHFFFAOYSA-N
Molecular Weight 181.209 g/mol
SMILES c1(S(=O)(=O)C)ccc(C#N)cc1
SPLASH splash10-0gb9-0900000000-804989b705e17994dab9
Source of Spectrum F5-6-760-K--3
Wiley ID 1733404