| SpectraBase Spectrum ID |
CcNbSjdIro5 |
| Name |
(P,M)-2-[(1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl]-3,5-dimethylphenyl 3,5-Dinitrobenzoate |
| Appearance |
Yellow crystalline solid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H30N2O6 |
| InChI |
InChI=1S/C25H30N2O6/c1-14(2)21-7-6-15(3)9-22(21)24-17(5)8-16(4)10-23(24)33-25(28)18-11-19(26(29)30)13-20(12-18)27(31)32/h8,10-15,21-22H,6-7,9H2,1-5H3/t15-,21+,22-/m0/s1 |
| InChIKey |
XHENUVJCGPWBSZ-SOOXCYDNSA-N |
| Instrument Name |
EI-TOF Waters |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201800340 |
| Molecular Weight |
454.523 g/mol |
| Reported Formula |
C25H30N2O6 |
| SMILES |
c1c(c(c(cc1C)OC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)[C@@]1([C@](CC[C@@](C1)(C)[H])(C(C)C)[H])[H])C |
| SPLASH |
splash10-0f9f-0923400000-1786657e7a2effe1cbdf |
| Sample Comments |
dr = 85:15 |
| Source of Spectrum |
U1-2019-368-3f |
| Thin-Layer Chromatography |
Rf = 0.20 (petroleum ether/EtOAc, 98:2) |
| Wiley ID |
1843644 |
![(P,M)-2-[(1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl]-3,5-dimethylphenyl 3,5-Dinitrobenzoate](/api/spectrum/CcNbSjdIro5/structure.png?h=300&w=458 "(P,M)-2-[(1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl]-3,5-dimethylphenyl 3,5-Dinitrobenzoate")
