| SpectraBase Compound ID | 7p4EhuzDv5B |
|---|---|
| InChI | InChI=1S/C12H7BrN4O3/c13-7-1-3-8(4-2-7)14-9-5-6-10(17(18)19)12-11(9)15-20-16-12/h1-6,14H |
| InChIKey | ZEJBYFGPGCVHTI-UHFFFAOYSA-N |
| Mol Weight | 335.12 g/mol |
| Molecular Formula | C12H7BrN4O3 |
| Exact Mass | 333.970153 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BMWj5opSovq |
|---|---|
| Name | N-(4-Bromophenyl)-7-nitro-2,1,3-benzoxadiazol-4-amine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.970153098 u |
| Formula | C12H7BrN4O3 |
| InChI | InChI=1S/C12H7BrN4O3/c13-7-1-3-8(4-2-7)14-9-5-6-10(17(18)19)12-11(9)15-20-16-12/h1-6,14H |
| InChIKey | ZEJBYFGPGCVHTI-UHFFFAOYSA-N |
| Molecular Weight | 335.117 g/mol |
| SMILES | C1=C(C=2C(C(=C1)NC1=CC=C(C=C1)Br)=NON2)N(=O)=O |