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2,3-trans-bis(p-chlorophenyl)-3-cyano-5-oxcyclopentanecarboxylic acid, ethyl ester
SpectraBase Compound ID LO5EruUBmln
InChI InChI=1S/C21H17Cl2NO3/c1-2-27-20(26)18-17(25)11-21(12-24,14-5-9-16(23)10-6-14)19(18)13-3-7-15(22)8-4-13/h3-10,18-19H,2,11H2,1H3/t18?,19-,21-/m1/s1
InChIKey LUZXKTAEYXDPCW-NYKYFDBJSA-N
Mol Weight 402.28 g/mol
Molecular Formula C21H17Cl2NO3
Exact Mass 401.058549 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID C3LGGjz8gjo
Name 2,3-trans-BIS(p-CHLOROPHENYL)-3-CYANO-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 C21H17Cl2NO3
InChI InChI=1S/C21H17Cl2NO3/c1-2-27-20(26)18-17(25)11-21(12-24,14-5-9-16(23)10-6-14)19(18)13-3-7-15(22)8-4-13/h3-10,18-19H,2,11H2,1H3/t18?,19-,21-/m1/s1
InChIKey LUZXKTAEYXDPCW-NYKYFDBJSA-N
Literature Reference LIEBIGS ANN. CHEM. 1979, 303 Abstract-Chemical Abstracts= 91, 4969(1979)
Melting Point 149-150C
Molecular Weight 402.270996
Synonyms CYCLOPENTANECARBOXYLIC ACID, 2,3-TRANS-BIS/P-CHLOROPHENYL/-3-CYANO- 5-OXO-, ETHYL ESTER
Technique KBr WAFER