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3-Cyano-1-(p-toluenesulfonyl)-3-(cyclopentenyl)prop-2-ene
SpectraBase Compound ID 4zepPX5jl8a
InChI InChI=1S/C16H17NO2S/c1-13-6-8-16(9-7-13)20(18,19)11-10-15(12-17)14-4-2-3-5-14/h4,6-10H,2-3,5,11H2,1H3/b15-10-
InChIKey KKPZRMIRDZYNFY-GDNBJRDFSA-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 LAv3pPs3E7N
Name 3-Cyano-1-(p-toluenesulfonyl)-3-(cyclopentenyl)prop-2-ene
Alternate Name(s) (2E)-2-(1-cyclopenten-1-yl)-4-[(4-methylphenyl)sulfonyl]-2-butenenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO2S
InChI InChI=1S/C16H17NO2S/c1-13-6-8-16(9-7-13)20(18,19)11-10-15(12-17)14-4-2-3-5-14/h4,6-10H,2-3,5,11H2,1H3/b15-10-
InChIKey KKPZRMIRDZYNFY-GDNBJRDFSA-N
Molecular Weight 287.377 g/mol
SMILES C(\C=C/(C1=CCCC1)C#N)S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-001i-0900000000-6c3b2a7ac4daeb338f18
Source of Spectrum SO-0-966-3
Wiley ID 1538753