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trans-4-Cyano-3-phenyl-1-methyl-2-tosylcyclopentene
SpectraBase Compound ID Ft6GOrXkyNQ
InChI InChI=1S/C20H19NO2S/c1-14-8-10-18(11-9-14)24(22,23)20-15(2)12-17(13-21)19(20)16-6-4-3-5-7-16/h3-11,17,19H,12H2,1-2H3/t17-,19-/m1/s1
InChIKey NBPDEJBFFGPMCE-IEBWSBKVSA-N
Mol Weight 337.44 g/mol
Molecular Formula C20H19NO2S
Exact Mass 337.11365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ybaUhlzt2L
Name trans-4-Cyano-3-phenyl-1-methyl-2-tosylcyclopentene
Alternate Name(s) (1S,2S)-4-methyl-3-[(4-methylphenyl)sulfonyl]-2-phenyl-3-cyclopentene-1-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19NO2S
InChI InChI=1S/C20H19NO2S/c1-14-8-10-18(11-9-14)24(22,23)20-15(2)12-17(13-21)19(20)16-6-4-3-5-7-16/h3-11,17,19H,12H2,1-2H3/t17-,19-/m1/s1
InChIKey NBPDEJBFFGPMCE-IEBWSBKVSA-N
Molecular Weight 337.437 g/mol
SMILES C1(S(c2ccc(cc2)C)(=O)=O)=C(C[C@@]([C@]1(c1ccccc1)[H])(C#N)[H])C
SPLASH splash10-0006-9300000000-b3827a602a8ef9017626
Source of Spectrum F-50-3504-8
Wiley ID 1333158