| SpectraBase Spectrum ID |
CBn6clNTxPq |
| Name |
4-(3,5-Dinitrobenzoyl)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.075684116 u |
| Formula |
C17H12N4O6 |
| InChI |
InChI=1S/C17H12N4O6/c1-10-15(17(23)19(18-10)12-5-3-2-4-6-12)16(22)11-7-13(20(24)25)9-14(8-11)21(26)27/h2-9,15H,1H3 |
| InChIKey |
IMURLUBIDTVTPB-UHFFFAOYSA-N |
| Molecular Weight |
368.305 g/mol |
| SMILES |
C=1C=CC(N2C(C(C(C=3C=C(N(=O)=O)C=C(N(=O)=O)C3)=O)C(=N2)C)=O)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.801171 |
