Erythro-2,3-di(p-cumenyl)-6,6-dimethyl-5-oxoheptanoic acid, ethyl ester
Compound with spectra: 1 NMR, 1 FTIR, and 1 Raman
| SpectraBase Compound ID | 3dreaCqSPjq |
|---|---|
| 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+/m1/s1 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+/m0/s1 |
| InChIKey | CBSMPFQRKGQVGU-VPUSJEBWSA-N |
| Mol Weight | 436.6 g/mol |
| Molecular Formula | C29H40O3 |
| Exact Mass | 436.297745 g/mol |
| Enantiomer InChIKey | CBSMPFQRKGQVGU-AHKZPQOWSA-N |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | L. Fisnerova, Research Institute of Pharmacy & Biochemistry, Prague, Czechoslovakia |
| Solvent | Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | L. Fisnerova, Research Institute of Pharmacy & Biochemistry, Prague, Czechoslovakia |
| Technique | KBr WAFER |
- HEPTANOIC ACID, 2,3-DI/P-CUMENYL/- 6,6-DIMETHYL-5-OXO-, ETHYL ESTER, erythro-,
erythro-4-BENZOYL-3-(p-CUMENYL)-2-(p-NITROPHENYL)BUTYRIC ACID
erythro-4-benzoyl-3-(p-(dimethylamino)phenyl]-2-(p-isobutylphenyl)butyric acid
ethyl 2-benzoyl-4-cyclohexyl-3-(p-tolyl)butanoate
ethyl 2-benzoyl-3-(4-bromophenyl)-4-cyclohexyl-butanoate
2-(1,2,3-Triphenylpropyl)malonic acid diethyl ester
Diethyl 2-(4-methoxyphenyl)-4,6-dioxo-1,3-cyclohexanedicarboxylate
NJURNMMCNNMENU-GDWJVWIDSA-N
MASOXGLPKPAJAX-XHPQRKPJSA-N
CYCLOHEXANECARBOXYLIC ACID, 2-ETHYL-6-(4-METHOXYPHENYL)-3-OXO- METHYL ESTER,
Rhodium, (.eta.5-2,4-cyclopentadien-1-yl)[(2,3,4,5-.eta.)-2,3,4,5-tetraphenyl-2,4-cyclopentadien-1-one]-
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.
Wiley SmartSpectra Raman Database Collection
Author: Wiley
Designed for use with Wiley’s KnowItAll Raman Spectral Library collection, this computed Raman database can be used in unknown identification to expand your available chemical compound coverage and improve your analytical workflow. Learn more.