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4-Pentenenitrile, 2-[(4-methylphenyl)sulfonyl]-
SpectraBase Compound ID GGkTX2o9iRr
InChI InChI=1S/C12H13NO2S/c1-3-4-12(9-13)16(14,15)11-7-5-10(2)6-8-11/h3,5-8,12H,1,4H2,2H3
InChIKey IRSGEKQXBNWZCP-UHFFFAOYSA-N
Mol Weight 235.3 g/mol
Molecular Formula C12H13NO2S
Exact Mass 235.0667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6xf87ebfqNq
Name 4-Pentenenitrile, 2-[(4-methylphenyl)sulfonyl]-
Alternate Name(s) 2-[(4-methylphenyl)sulfonyl]-4-pentenenitrile 4-Cyano-4-(tolylsulfonyl)-1-butene
CAS Registry Number 93823-14-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO2S
InChI InChI=1S/C12H13NO2S/c1-3-4-12(9-13)16(14,15)11-7-5-10(2)6-8-11/h3,5-8,12H,1,4H2,2H3
InChIKey IRSGEKQXBNWZCP-UHFFFAOYSA-N
Molecular Weight 235.301 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)(C#N)CC=C
SPLASH splash10-052f-9600000000-7d6a65bd3dd61c330a84
Source of Spectrum AJ-60-1526-5
Wiley ID 1236981