| SpectraBase Compound ID | JwR8Iuh6up9 |
|---|---|
| InChI | InChI=1S/C9H7N5O3/c15-8(12-9-10-5-11-13-9)6-2-1-3-7(4-6)14(16)17/h1-5H,(H2,10,11,12,13,15) |
| InChIKey | XEWAORAPEICFSM-UHFFFAOYSA-N |
| Mol Weight | 233.19 g/mol |
| Molecular Formula | C9H7N5O3 |
| Exact Mass | 233.054889 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Oyxyb2YbIU |
|---|---|
| Name | Benzamide, 3-nitro-N-(1H-1,2,4-triazol-3-yl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.054889102 u |
| Formula | C9H7N5O3 |
| InChI | InChI=1S/C9H7N5O3/c15-8(12-9-10-5-11-13-9)6-2-1-3-7(4-6)14(16)17/h1-5H,(H2,10,11,12,13,15) |
| InChIKey | XEWAORAPEICFSM-UHFFFAOYSA-N |
| Molecular Weight | 233.187 g/mol |
| SMILES | C=1(N=CNN1)NC(=O)C1=CC=CC(N(=O)=O)=C1 |