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erythro-4-BENZOYL-3-(p-CUMENYL)-2-PHENYLBUTYRIC ACID
SpectraBase Compound ID BYI5VLxKmqr
InChI InChI=1S/C26H26O3/c1-18(2)19-13-15-20(16-14-19)23(17-24(27)21-9-5-3-6-10-21)25(26(28)29)22-11-7-4-8-12-22/h3-16,18,23,25H,17H2,1-2H3,(H,28,29)/t23-,25+/s2
InChIKey MDTBRRQJXPODOI-UHGYTFENSA-N
Mol Weight 386.49 g/mol
Molecular Formula C26H26O3
Exact Mass 386.188195 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CbhLVmYNESG
Name erythro-4-BENZOYL-3-(p-CUMENYL)-2-PHENYLBUTYRIC ACID
Source of Sample L. Fisnerova, Research Institute of Pharmacy & Biochemistry, Prague, Czechoslovakia
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26O3
InChI InChI=1S/C26H26O3/c1-18(2)19-13-15-20(16-14-19)23(17-24(27)21-9-5-3-6-10-21)25(26(28)29)22-11-7-4-8-12-22/h3-16,18,23,25H,17H2,1-2H3,(H,28,29)/t23-,25+/s2
InChIKey MDTBRRQJXPODOI-UHGYTFENSA-N
Melting Point 233-234C
Molecular Weight 386.50
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BUTYRIC ACID, 4-BENZOYL- 3-/P-CUMENYL/-2-PHENYL-, erythro-,