| SpectraBase Spectrum ID |
Gb34uOCfKfL |
| Name |
Cyclohexanepropanoic acid, 2-[1-[(3,5-dinitrobenzoyl)oxy]-2-propenyl]-1-methyl-, methyl ester, [1.alpha.,2.beta.(S*)]-(.+-.)- |
| CAS Registry Number |
109263-16-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H26N2O8 |
| InChI |
InChI=1S/C21H26N2O8/c1-4-18(17-7-5-6-9-21(17,2)10-8-19(24)30-3)31-20(25)14-11-15(22(26)27)13-16(12-14)23(28)29/h4,11-13,17-18H,1,5-10H2,2-3H3/t17-,18-,21+/m0/s1 |
| InChIKey |
ONALCOKWZJPUSH-BBTUJRGHSA-N |
| Molecular Weight |
434.445 g/mol |
| SMILES |
c1(N(=O)=O)cc(N(=O)=O)cc(C(O[C@]([C@]2([C@](CCC(=O)OC)(C)CCCC2)[H])(C=C)[H])=O)c1 |
| SPLASH |
splash10-0f80-2900000000-bd65971607ed147bae60 |
| Source of Spectrum |
KC-1986-1306-0 |
| Synonyms |
(1S)-1-[(1R,2R)-2-(3-methoxy-3-oxopropyl)-2-methylcyclohexyl]-2-propenyl 3,5-dinitrobenzoate
Methyl trans-3-(2'-(1''-(3''',5'''-dinitrobenzoyloxy)prop-2''-enyl)-1'-methylcyclohexyl)propionate |
| Wiley ID |
1382883 |
![Cyclohexanepropanoic acid, 2-[1-[(3,5-dinitrobenzoyl)oxy]-2-propenyl]-1-methyl-, methyl ester, [1.alpha.,2.beta.(S*)]-(.+-.)-](/api/spectrum/Gb34uOCfKfL/structure.png?h=300&w=458 "Cyclohexanepropanoic acid, 2-[1-[(3,5-dinitrobenzoyl)oxy]-2-propenyl]-1-methyl-, methyl ester, [1.alpha.,2.beta.(S*)]-(.+-.)-")
