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5-(3-Cyanopropyl)-1-(phenylsulfonyl)-1,3-cyclohexadiene
SpectraBase Compound ID 7ieQqScvjLV
InChI InChI=1S/C16H17NO2S/c17-12-5-4-7-14-8-6-11-16(13-14)20(18,19)15-9-2-1-3-10-15/h1-3,6,8-11,14H,4-5,7,13H2
InChIKey KSURBINAPUENJQ-UHFFFAOYSA-N
Mol Weight 287.38 g/mol
Molecular Formula C16H17NO2S
Exact Mass 287.098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Y0nzkudZg
Name 5-(3-Cyanopropyl)-1-(phenylsulfonyl)-1,3-cyclohexadiene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO2S
InChI InChI=1S/C16H17NO2S/c17-12-5-4-7-14-8-6-11-16(13-14)20(18,19)15-9-2-1-3-10-15/h1-3,6,8-11,14H,4-5,7,13H2
InChIKey KSURBINAPUENJQ-UHFFFAOYSA-N
Molecular Weight 287.377 g/mol
SMILES C1(S(=O)(=O)c2ccccc2)=CC=CC(C1)CCCC#N
SPLASH splash10-00ou-8490000000-f98bebafc46c06d71d91
Source of Spectrum QA-44-370-8
Synonyms 4-[5-(phenylsulfonyl)-2,4-cyclohexadien-1-yl]butanenitrile
Wiley ID 862564