| SpectraBase Compound ID | FzS5BxLtrDM |
|---|---|
| InChI | InChI=1S/C13H8N4O4/c18-16(19)9-3-1-2-8(6-9)13-14-11-5-4-10(17(20)21)7-12(11)15-13/h1-7H,(H,14,15) |
| InChIKey | MIPOWFJJQUUMTF-UHFFFAOYSA-N |
| Mol Weight | 284.23 g/mol |
| Molecular Formula | C13H8N4O4 |
| Exact Mass | 284.054555 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ATW8N4Tp6Ai |
|---|---|
| Name | 1,3-Benzodiazole, 5-nitro-2-(m-nitrophenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.054554750 u |
| Formula | C13H8N4O4 |
| InChI | InChI=1S/C13H8N4O4/c18-16(19)9-3-1-2-8(6-9)13-14-11-5-4-10(17(20)21)7-12(11)15-13/h1-7H,(H,14,15) |
| InChIKey | MIPOWFJJQUUMTF-UHFFFAOYSA-N |
| SMILES | C12=CC=C(C=C2N=C(N1)C1=CC(=CC=C1)N(=O)=O)N(=O)=O |