| SpectraBase Spectrum ID |
AyPCZi2hewf |
| Name |
(P,M)-2-[(1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl]-3,5-dimethylphenyl Benzoate |
| Appearance |
Colourless liquid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H32O2 |
| InChI |
InChI=1S/C25H32O2/c1-16(2)21-12-11-17(3)14-22(21)24-19(5)13-18(4)15-23(24)27-25(26)20-9-7-6-8-10-20/h6-10,13,15-17,21-22H,11-12,14H2,1-5H3/t17-,21+,22-/m0/s1 |
| InChIKey |
GRPPBWQWCBAKAC-WTOYTKOKSA-N |
| Instrument Name |
EI-TOF Waters |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201800340 |
| Molecular Weight |
364.529 g/mol |
| Reported Formula |
C25H32O2 |
| SMILES |
c1c(c(c(cc1C)OC(c1ccccc1)=O)[C@@]1([C@](CC[C@@](C1)(C)[H])(C(C)C)[H])[H])C |
| SPLASH |
splash10-0a4i-1911000000-88799ccca70027fc9995 |
| Sample Comments |
dr = 75:25 |
| Source of Spectrum |
U1-2019-368-3e |
| Thin-Layer Chromatography |
Rf = 0.20 (petroleum ether/CH2Cl2, 8:2) |
| Wiley ID |
1843643 |
![(P,M)-2-[(1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl]-3,5-dimethylphenyl Benzoate](/api/spectrum/AyPCZi2hewf/structure.png?h=300&w=458 "(P,M)-2-[(1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl]-3,5-dimethylphenyl Benzoate")
