| SpectraBase Spectrum ID |
LCF5GZnnJhc |
| Name |
3,5-Dinitrobenzoic acid (2aS*,5aS*,8aR*)-5a-Methyl-octahydrocyclobuta[a]inden-2a-yl) ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H22N2O6 |
| InChI |
InChI=1S/C19H22N2O6/c1-17-4-2-6-18(17)8-9-19(18,7-3-5-17)27-16(22)13-10-14(20(23)24)12-15(11-13)21(25)26/h10-12H,2-9H2,1H3/t17-,18+,19-/m0/s1 |
| InChIKey |
RQLKOUAZFBQXJI-OTWHNJEPSA-N |
| Molecular Weight |
374.393 g/mol |
| SMILES |
c1(N(=O)=O)cc(N(=O)=O)cc(C(O[C@]23[C@@]4([C@](CCC4)(C)CCC3)CC2)=O)c1 |
| SPLASH |
splash10-001i-0900000000-1fec0aabc493c5527e36 |
| Source of Spectrum |
F-50-10890-46 |
| Wiley ID |
789348 |
![3,5-Dinitrobenzoic acid (2aS*,5aS*,8aR*)-5a-Methyl-octahydrocyclobuta[a]inden-2a-yl) ester](/api/spectrum/LCF5GZnnJhc/structure.png?h=300&w=458 "3,5-Dinitrobenzoic acid (2aS*,5aS*,8aR*)-5a-Methyl-octahydrocyclobuta[a]inden-2a-yl) ester")
