| SpectraBase Compound ID | LB041Hw84vX |
|---|---|
| InChI | InChI=1S/C17H14N4O3/c1-12-11-16(20(19-12)13-7-3-2-4-8-13)18-17(22)14-9-5-6-10-15(14)21(23)24/h2-11H,1H3,(H,18,22) |
| InChIKey | PFMMMGCSWOFANV-UHFFFAOYSA-N |
| Mol Weight | 322.32 g/mol |
| Molecular Formula | C17H14N4O3 |
| Exact Mass | 322.10659 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kt1HRk7kCep |
|---|---|
| Name | N-(3-Methyl-1-phenylpyrazol-5-yl)-o-nitrobenzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.106590324 u |
| Formula | C17H14N4O3 |
| InChI | InChI=1S/C17H14N4O3/c1-12-11-16(20(19-12)13-7-3-2-4-8-13)18-17(22)14-9-5-6-10-15(14)21(23)24/h2-11H,1H3,(H,18,22) |
| InChIKey | PFMMMGCSWOFANV-UHFFFAOYSA-N |
| Molecular Weight | 322.324 g/mol |
| SMILES | N(C(C=1C=CC=CC1N(=O)=O)=O)C=1N(N=C(C1)C)C=1C=CC=CC1 |