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3-cyano-2,3-trans-di-2-thienyl-5-oxocyclopentanecarboxylic acid, ethyl ester
SpectraBase Compound ID 9mqTXmCefh4
InChI InChI=1S/C17H15NO3S2/c1-2-21-16(20)14-11(19)9-17(10-18,13-6-4-8-23-13)15(14)12-5-3-7-22-12/h3-8,14-15H,2,9H2,1H3/t14?,15-,17-/s2
InChIKey OSYKVXWFVDWRSM-LVXBGSCASA-N
Mol Weight 345.43 g/mol
Molecular Formula C17H15NO3S2
Exact Mass 345.049336 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID CliW5rZCM5z
Name 3-CYANO-2,3-trans-DI-2-THIENYL-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 C17H15NO3S2
InChI InChI=1S/C17H15NO3S2/c1-2-21-16(20)14-11(19)9-17(10-18,13-6-4-8-23-13)15(14)12-5-3-7-22-12/h3-8,14-15H,2,9H2,1H3/t14?,15-,17-/s2
InChIKey OSYKVXWFVDWRSM-LVXBGSCASA-N
Literature Reference LIEBIGS ANN. CHEM. 1979, 303 Abstract-Chemical Abstracts= 91, 4969(1979)
Melting Point 94-96C
Molecular Weight 345.431000
Synonyms CYCLOPENTANECARBOXYLIC ACID, 3-CYANO-2,3-TRANS-DI-2-THIENYL-5-OXO-, ETHYL ESTER
Technique FILM (CAST FROM CHCl3)