| SpectraBase Compound ID | ERn4jOiuzfV |
|---|---|
| InChI | InChI=1S/C8H7N3O5/c1-9-8(12)5-2-6(10(13)14)4-7(3-5)11(15)16/h2-4H,1H3,(H,9,12) |
| InChIKey | JFZRLYPCHVXTRQ-UHFFFAOYSA-N |
| Mol Weight | 225.16 g/mol |
| Molecular Formula | C8H7N3O5 |
| Exact Mass | 225.03857 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AARtkNea70X |
|---|---|
| Name | Benzamide, 3,5-dinitro-N-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.038570332 u |
| Formula | C8H7N3O5 |
| InChI | InChI=1S/C8H7N3O5/c1-9-8(12)5-2-6(10(13)14)4-7(3-5)11(15)16/h2-4H,1H3,(H,9,12) |
| InChIKey | JFZRLYPCHVXTRQ-UHFFFAOYSA-N |
| Molecular Weight | 225.160 g/mol |
| SMILES | C1=C(C=C(C=C1N(=O)=O)N(=O)=O)C(NC)=O |