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erythro-2,3-DI(p-CUMENYL)-6,6-DIMETHYL-5-OXOHEPTANOIC ACID, ETHYL ESTER
SpectraBase Compound ID Ltn2xSBrBIJ
InChI InChI=1S/C29H40O3/c1-9-32-28(31)27(24-16-12-22(13-17-24)20(4)5)25(18-26(30)29(6,7)8)23-14-10-21(11-15-23)19(2)3/h10-17,19-20,25,27H,9,18H2,1-8H3/t25-,27+/s2
InChIKey CBSMPFQRKGQVGU-ZFNJMYIBSA-N
Mol Weight 436.6 g/mol
Molecular Formula C29H40O3
Exact Mass 436.297745 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FyfNazr4Ug0
Name erythro-2,3-DI(p-CUMENYL)-6,6-DIMETHYL-5-OXOHEPTANOIC ACID, ETHYL ESTER
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 C29H40O3
InChI InChI=1S/C29H40O3/c1-9-32-28(31)27(24-16-12-22(13-17-24)20(4)5)25(18-26(30)29(6,7)8)23-14-10-21(11-15-23)19(2)3/h10-17,19-20,25,27H,9,18H2,1-8H3/t25-,27+/s2
InChIKey CBSMPFQRKGQVGU-ZFNJMYIBSA-N
Melting Point 132-133C
Molecular Weight 436.64
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms HEPTANOIC ACID, 2,3-DI/P-CUMENYL/- 6,6-DIMETHYL-5-OXO-, ETHYL ESTER, erythro-,