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3-cyano-2,3-trans-diphenyl-5-oxocyclopentanecarboxlic acid, ethyl ester
SpectraBase Compound ID 3FRqETClCeA
InChI InChI=1S/C21H19NO3/c1-2-25-20(24)18-17(23)13-21(14-22,16-11-7-4-8-12-16)19(18)15-9-5-3-6-10-15/h3-12,18-19H,2,13H2,1H3/t18?,19-,21-/m1/s1
InChIKey YIYZHTPXZSBYAT-NYKYFDBJSA-N
Mol Weight 333.39 g/mol
Molecular Formula C21H19NO3
Exact Mass 333.136493 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID C1ir8p8fKwa
Name 3-CYANO-2,3-trans-DIPHENYL-5-OXOCYCLOPENTANECARBOXYLIC ACID, ETHYL ESTER
Source of Sample H. STETTER, INSTITUTE OF ORGANIC CHEMISTRY, AACHEN, GERMANY
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19NO3
InChI InChI=1S/C21H19NO3/c1-2-25-20(24)18-17(23)13-21(14-22,16-11-7-4-8-12-16)19(18)15-9-5-3-6-10-15/h3-12,18-19H,2,13H2,1H3/t18?,19-,21-/m1/s1
InChIKey YIYZHTPXZSBYAT-NYKYFDBJSA-N
Literature Reference LIEBIGS ANN. CHEM. 1979, 303 Abstract-Chemical Abstracts= 91, 4969(1979)
Melting Point 142-144C
Molecular Weight 333.386993
Synonyms CYCLOPENTANECARBOXYLIC ACID, 3-CYANO-2,3-TRANS-DIPHENYL-5-OXO-, ETHYL ESTER
Technique KBr WAFER