SpectraBase Spectrum ID |
AyPCZi2hewf |
Name |
(P,M)-2-[(1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl]-3,5-dimethylphenyl Benzoate |
Appearance |
Colourless liquid |
Copyright |
Copyright © 2020-2024 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 |