| SpectraBase Spectrum ID |
BNpT42HSy43 |
| Name |
2-(3,5-Dinitrobenzoyl)-3,4-dihydro-2H-pyrazole-3-carboxylic acid 2-isopropyl-5-methylcyclohexyl ester isomer |
| 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-XCZFQOCRSA-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(OC1C(CC[C@@](C1)(C)[H])C(C)C)=O)[H] |
| SPLASH |
splash10-001i-9400000000-df0796611c612651feed |
| Source of Spectrum |
QC-26-469-15 |
| Wiley ID |
1584462 |
