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5-Chloro-2-(methylsulfonyl)benzonitrile

View entire compound with spectra: 1 MS (GC)

5-Chloro-2-(methylsulfonyl)benzonitrile
SpectraBase Compound ID IWbdbNbffKu
InChI InChI=1S/C8H6ClNO2S/c1-13(11,12)8-3-2-7(9)4-6(8)5-10/h2-4H,1H3
InChIKey OLWALQODOMEVCC-UHFFFAOYSA-N
Mol Weight 215.65 g/mol
Molecular Formula C8H6ClNO2S
Exact Mass 214.980777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AciLa1dfnvo
Name 5-Chloro-2-(methylsulfonyl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6ClNO2S
InChI InChI=1S/C8H6ClNO2S/c1-13(11,12)8-3-2-7(9)4-6(8)5-10/h2-4H,1H3
InChIKey OLWALQODOMEVCC-UHFFFAOYSA-N
Molecular Weight 215.654 g/mol
SMILES c1(S(=O)(=O)C)c(C#N)cc(cc1)Cl
SPLASH splash10-0udi-2910000000-99967803b281fff64264
Source of Spectrum G-61-740-11
Synonyms 5-Chloro-2-methylsulfonylbenzonitrile 5-Chloro-2-methylsulfonyl-benzonitrile 5-Chloranyl-2-methylsulfonyl-benzenecarbonitrile
Wiley ID 748979