| SpectraBase Spectrum ID |
ElbSqa2RvR2 |
| Name |
5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl 2-hydroxy-2,5,5-trimethyl-4-oxohexanoate |
| Alternate Name(s) |
(S)-2-Hydroxy-2,5,5-trimethyl-4-oxo-hexanoic 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 |
C25H38O4 |
| InChI |
InChI=1S/C25H38O4/c1-17-13-14-19(24(5,6)18-11-9-8-10-12-18)20(15-17)29-22(27)25(7,28)16-21(26)23(2,3)4/h8-12,17,19-20,28H,13-16H2,1-7H3/t17-,19-,20-,25+/m1/s1 |
| InChIKey |
QDGSWVBBPNQCFE-ILDDTBCLSA-N |
| Molecular Weight |
402.575 g/mol |
| SMILES |
O[C@](C(O[C@]1([C@](C(c2ccccc2)(C)C)(CC[C@](C1)(C)[H])[H])[H])=O)(CC(C(C)(C)C)=O)C |
| SPLASH |
splash10-014i-0900000000-1d54063686b9d4167941 |
| Source of Spectrum |
KC-1993-1739-13 |
| Wiley ID |
778426 |
