| SpectraBase Compound ID | CVgvZ7CvsNB |
|---|---|
| InChI | InChI=1S/C16H14N4O4/c1-11-9-15(12-5-3-2-4-6-12)18(17-11)14-8-7-13(19(21)22)10-16(14)20(23)24/h2-8,10,15H,9H2,1H3 |
| InChIKey | YRZGOCAQNILHHG-UHFFFAOYSA-N |
| Mol Weight | 326.31 g/mol |
| Molecular Formula | C16H14N4O4 |
| Exact Mass | 326.101505 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Pr5MQH3VIY |
|---|---|
| Name | 1-(2,4-Dinitrophenyl)-3-methyl-5-phenyl-2-pyrazoline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.101504943 u |
| Formula | C16H14N4O4 |
| InChI | InChI=1S/C16H14N4O4/c1-11-9-15(12-5-3-2-4-6-12)18(17-11)14-8-7-13(19(21)22)10-16(14)20(23)24/h2-8,10,15H,9H2,1H3 |
| InChIKey | YRZGOCAQNILHHG-UHFFFAOYSA-N |
| SMILES | N(=O)(=O)C1=CC(=C(C=C1)N1N=C(CC1C=1C=CC=CC1)C)N(=O)=O |