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3-cyano-3,3-diphenyl-propanoic acid
SpectraBase Compound ID 17qWxaD0jrn
InChI InChI=1S/C16H13NO2/c17-12-16(11-15(18)19,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11H2,(H,18,19)
InChIKey GOPLEFHQZLVFTB-UHFFFAOYSA-N
Mol Weight 251.28 g/mol
Molecular Formula C16H13NO2
Exact Mass 251.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JZqAbcOVOn0
Name 3-cyano-3,3-diphenyl-propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13NO2
InChI InChI=1S/C16H13NO2/c17-12-16(11-15(18)19,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11H2,(H,18,19)
InChIKey GOPLEFHQZLVFTB-UHFFFAOYSA-N
Molecular Weight 251.285 g/mol
SMILES OC(CC(C#N)(c1ccccc1)c1ccccc1)=O
SPLASH splash10-0006-1900000000-571f13077ee2ded93666
Source of Spectrum JZ-1992-1532-0
Synonyms Propionic acid, 3-cyano-3,3-diphenyl- 3-cyano-3,3-diphenylpropanoic acid
Wiley ID 1254686