| SpectraBase Spectrum ID |
AvGVVnTQW0V |
| Name |
(P,M)-2-[(1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl]-3,5-dimethylphenyl 3,5-Dimethoxybenzoate |
| Appearance |
Colourless liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H36O4 |
| InChI |
InChI=1S/C27H36O4/c1-16(2)23-9-8-17(3)11-24(23)26-19(5)10-18(4)12-25(26)31-27(28)20-13-21(29-6)15-22(14-20)30-7/h10,12-17,23-24H,8-9,11H2,1-7H3/t17-,23+,24-/m0/s1 |
| InChIKey |
GIQIPRLLLCFZAY-VWMXVWASSA-N |
| Instrument Name |
EI-TOF Waters |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201800340 |
| Molecular Weight |
424.581 g/mol |
| Reported Formula |
C27H36O4 |
| SMILES |
c1c(c(c(cc1C)OC(c1cc(cc(c1)OC)OC)=O)[C@@]1([C@](CC[C@@](C1)(C)[H])(C(C)C)[H])[H])C |
| SPLASH |
splash10-014i-0900000000-e0408b9ee51b9a5e04e9 |
| Sample Comments |
dr = 85:15 |
| Source of Spectrum |
U1-2019-368-3g |
| Thin-Layer Chromatography |
Rf = 0.10 (petroleum ether/CH2Cl2, 8:2) |
| Wiley ID |
1843645 |
![(P,M)-2-[(1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl]-3,5-dimethylphenyl 3,5-Dimethoxybenzoate](/api/spectrum/AvGVVnTQW0V/structure.png?h=300&w=458 "(P,M)-2-[(1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl]-3,5-dimethylphenyl 3,5-Dimethoxybenzoate")
