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2,3-trans-bis(p-methoxyphenyl)-3-cyano-5-oxocyclopentanecarboxylic acid, ethyl ester
SpectraBase Compound ID BLo9MmylnYC
InChI InChI=1S/C23H23NO5/c1-4-29-22(26)20-19(25)13-23(14-24,16-7-11-18(28-3)12-8-16)21(20)15-5-9-17(27-2)10-6-15/h5-12,20-21H,4,13H2,1-3H3/t20?,21-,23-/s2
InChIKey FVJUWQAWDPSPAC-ZNQPSEPSSA-N
Mol Weight 393.44 g/mol
Molecular Formula C23H23NO5
Exact Mass 393.157623 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CTXgOHobwvX
Name 2,3-trans-BIS(p-METHOXYPHENYL)-3-CYANO-5-OXOCYCLOPENTANECARBOXYLIC ACID, ETHYL ESTER
Source of Sample H. Stetter, Institute of Organic Chemistry, Aachen, Germany
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H23NO5
InChI InChI=1S/C23H23NO5/c1-4-29-22(26)20-19(25)13-23(14-24,16-7-11-18(28-3)12-8-16)21(20)15-5-9-17(27-2)10-6-15/h5-12,20-21H,4,13H2,1-3H3/t20?,21-,23-/s2
InChIKey FVJUWQAWDPSPAC-ZNQPSEPSSA-N
Melting Point 143-145C
Molecular Weight 393.44
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms CYCLOPENTANECARBOXYLIC ACID, 2,3-trans-BIS/P-METHOXYPHENYL/-3-CYANO- 5-OXO-, ETHYL ESTER