| SpectraBase Spectrum ID |
LlyW9mzUQMU |
| Name |
(S)-2-(3,5-Dinitro-benzoyl)-3,4-dihydro-2H-pyrazole-3-carboxylic acid (1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H26N4O7 |
| InChI |
InChI=1S/C21H26N4O7/c1-12(2)17-5-4-13(3)8-19(17)32-21(27)18-6-7-22-23(18)20(26)14-9-15(24(28)29)11-16(10-14)25(30)31/h7,9-13,17-19H,4-6,8H2,1-3H3/t13-,17+,18-,19-/m0/s1 |
| InChIKey |
NHAOMQHIWHFTFI-PZGXJPJSSA-N |
| Molecular Weight |
446.460 g/mol |
| SMILES |
[C@]1(N(N=CC1)C(c1cc(N(=O)=O)cc(N(=O)=O)c1)=O)(C(O[C@@]1([C@](CC[C@@](C1)(C)[H])(C(C)C)[H])[H])=O)[H] |
| SPLASH |
splash10-000x-9000000000-4f83fbe9e76e9858da77 |
| Source of Spectrum |
QC-26-469-15 |
| Synonyms |
(1S,2R,5S)-2-isopropyl-5-methylcyclohexyl (5S)-1-(3,5-dinitrobenzoyl)-4,5-dihydro-1H-pyrazole-5-carboxylate
2-(3,5-Dinitrobenzoyl)-3,4-dihydro-2H-pyrazole-3-carboxylic acid 2-isopropyl-5-methylcyclohexyl ester |
| Wiley ID |
1584463 |
