| SpectraBase Spectrum ID |
2bEvsazosqL |
| Name |
5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl 2-hydroxy-2-methyl-4-oxo-4-phenylbutanoate |
| Alternate Name(s) |
(S)-2-Hydroxy-2-methyl-4-oxo-4-phenyl-butyric acid (1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)-cyclohexyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H34O4 |
| InChI |
InChI=1S/C27H34O4/c1-19-15-16-22(26(2,3)21-13-9-6-10-14-21)24(17-19)31-25(29)27(4,30)18-23(28)20-11-7-5-8-12-20/h5-14,19,22,24,30H,15-18H2,1-4H3/t19-,22-,24-,27+/m1/s1 |
| InChIKey |
IMOALASYLFMUEH-QFIWYQEWSA-N |
| Molecular Weight |
422.565 g/mol |
| SMILES |
O[C@](C(O[C@]1([C@](C(c2ccccc2)(C)C)(CC[C@](C1)(C)[H])[H])[H])=O)(CC(=O)c1ccccc1)C |
| SPLASH |
splash10-014i-0900000000-4f389d530452f1ef3842 |
| Source of Spectrum |
KC-1993-1739-14 |
| Wiley ID |
778425 |
