| SpectraBase Spectrum ID |
LD0EC0Ts3av |
| Name |
Benzenebutanoic acid, .beta.-oxo-.alpha.-(3-oxocyclohexyl)-, ethyl ester |
| Alternate Name(s) |
Ethyl 3-oxo-2-(3-oxocyclohexyl)-4-phenylbutanoate
Ethyl ester of 3,5-dihydroxy-4-phenylbicyclo[3.3.1]non-2-ene-2-carboxylic acid |
| CAS Registry Number |
81423-12-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H22O4 |
| InChI |
InChI=1S/C18H22O4/c1-2-22-18(21)17(14-9-6-10-15(19)12-14)16(20)11-13-7-4-3-5-8-13/h3-5,7-8,14,17H,2,6,9-12H2,1H3 |
| InChIKey |
WJYUGOQLKULZFR-UHFFFAOYSA-N |
| Molecular Weight |
302.370 g/mol |
| SMILES |
C(C(Cc1ccccc1)=O)(C1CC(=O)CCC1)C(=O)OCC |
| SPLASH |
splash10-014i-5932000000-0984366c51890705ed7b |
| Source of Spectrum |
J-47-2416-0 |
| Wiley ID |
1304803 |
