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erythro-4-BENZOYL-3-(p-CUMENYL)-2-(p-NITROPHENYL)BUTYRIC ACID

View entire compound with spectra: 2 NMR, and 1 FTIR

erythro-4-BENZOYL-3-(p-CUMENYL)-2-(p-NITROPHENYL)BUTYRIC ACID
SpectraBase Compound ID KFMuTgrd2fG
InChI InChI=1S/C26H25NO5/c1-17(2)18-8-10-19(11-9-18)23(16-24(28)20-6-4-3-5-7-20)25(26(29)30)21-12-14-22(15-13-21)27(31)32/h3-15,17,23,25H,16H2,1-2H3,(H,29,30)/t23-,25+/s2
InChIKey HVBNGCBBUVVMIM-UHGYTFENSA-N
Mol Weight 431.49 g/mol
Molecular Formula C26H25NO5
Exact Mass 431.173273 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 5OuN1Fc0Z2K
Name erythro-4-BENZOYL-3-(p-CUMENYL)-2-(p-NITROPHENYL)BUTYRIC ACID
Source of Sample L. Fisnerova, Research Institute of Pharmacy & Biochemistry, Prague, Czechoslovakia
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H25NO5
InChI InChI=1S/C26H25NO5/c1-17(2)18-8-10-19(11-9-18)23(16-24(28)20-6-4-3-5-7-20)25(26(29)30)21-12-14-22(15-13-21)27(31)32/h3-15,17,23,25H,16H2,1-2H3,(H,29,30)/t23-,25+/s2
InChIKey HVBNGCBBUVVMIM-UHGYTFENSA-N
Literature Reference Abstract-Chemical Abstracts= 85, 46150(1976)
Melting Point 208-209C
Molecular Weight 431.488007
Synonyms BUTYRIC ACID, 4-BENZOYL- 3-/P-CUMENYL/-2-/P-NITROPHENYL/-, ERYTHRO-,
Technique KBr WAFER