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4-Pentenenitrile, 2-[(4-methylphenyl)sulfonyl]-5-phenyl-

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4-Pentenenitrile, 2-[(4-methylphenyl)sulfonyl]-5-phenyl-
SpectraBase Compound ID JCxP1vOhKJV
InChI InChI=1S/C18H17NO2S/c1-15-10-12-17(13-11-15)22(20,21)18(14-19)9-5-8-16-6-3-2-4-7-16/h2-8,10-13,18H,9H2,1H3/b8-5-
InChIKey XCKHNMBRPOXMOM-YVMONPNESA-N
Mol Weight 311.4 g/mol
Molecular Formula C18H17NO2S
Exact Mass 311.098 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1u4BFHL5yux
Name 4-Pentenenitrile, 2-[(4-methylphenyl)sulfonyl]-5-phenyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.097999963 u
Formula C18H17NO2S
InChI InChI=1S/C18H17NO2S/c1-15-10-12-17(13-11-15)22(20,21)18(14-19)9-5-8-16-6-3-2-4-7-16/h2-8,10-13,18H,9H2,1H3/b8-5-
InChIKey XCKHNMBRPOXMOM-YVMONPNESA-N
Molecular Weight 311.399 g/mol
SMILES C(S(C=1C=CC(=CC1)C)(=O)=O)(C#N)C\C=C/C=1C=CC=CC1