| SpectraBase Spectrum ID |
4ulJMFWn0Xr |
| Name |
3a-(3,5-Dinitro-benzoyloxy)-8-methyl-decahydro-cyclopenta[a]indene-8a-carboxylic acid |
| Alternate Name(s) |
3a-[(3,5-dinitrobenzoyl)oxy]-8-methyldecahydrocyclopenta[a]indene-8a(1H)-carboxylic acid
9-(3',5'-Dinitrobenzoyloxy)-2-dodecane-1-carboxylic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H24N2O8 |
| InChI |
InChI=1S/C21H24N2O8/c1-12-16-5-2-3-6-17(16)21(8-4-7-20(12,21)19(25)26)31-18(24)13-9-14(22(27)28)11-15(10-13)23(29)30/h9-12,16-17H,2-8H2,1H3,(H,25,26)/t12-,16+,17+,20-,21-/m0/s1 |
| InChIKey |
WIRUMPOBANCMLC-GZXWHGIHSA-N |
| Molecular Weight |
432.429 g/mol |
| SMILES |
OC([C@@]12[C@@](OC(c3cc(N(=O)=O)cc(N(=O)=O)c3)=O)([C@@]3(CCCC[C@@]3([C@@]1(C)[H])[H])[H])CCC2)=O |
| SPLASH |
splash10-004i-7910000000-0e4703354985a0ccc359 |
| Source of Spectrum |
D8-323-131-29 |
| Wiley ID |
1513555 |
![3a-(3,5-Dinitro-benzoyloxy)-8-methyl-decahydro-cyclopenta[a]indene-8a-carboxylic acid](/api/spectrum/4ulJMFWn0Xr/structure.png?h=300&w=458 "3a-(3,5-Dinitro-benzoyloxy)-8-methyl-decahydro-cyclopenta[a]indene-8a-carboxylic acid")
