| SpectraBase Compound ID | 37OfpLjg3is |
|---|---|
| InChI | InChI=1S/C15H12N4O2/c16-15-14(11-5-2-1-3-6-11)10-17-18(15)12-7-4-8-13(9-12)19(20)21/h1-10H,16H2 |
| InChIKey | CCZMCCQJAWHSOU-UHFFFAOYSA-N |
| Mol Weight | 280.29 g/mol |
| Molecular Formula | C15H12N4O2 |
| Exact Mass | 280.096026 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G0fEfblF7pw |
|---|---|
| Name | 5-Amino-1-(m-nitrophenyl)-4-phenylpyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.096025640 u |
| Formula | C15H12N4O2 |
| InChI | InChI=1S/C15H12N4O2/c16-15-14(11-5-2-1-3-6-11)10-17-18(15)12-7-4-8-13(9-12)19(20)21/h1-10H,16H2 |
| InChIKey | CCZMCCQJAWHSOU-UHFFFAOYSA-N |
| Molecular Weight | 280.287 g/mol |
| SMILES | NC1=C(C=NN1C1=CC(=CC=C1)N(=O)=O)C=1C=CC=CC1 |