| SpectraBase Compound ID | 7ZY33oviTqP |
|---|---|
| InChI | InChI=1S/C12H7ClN4O2/c13-8-1-3-9(4-2-8)16-12-6-5-10(17(18)19)7-11(12)14-15-16/h1-7H |
| InChIKey | VMXKJJJXRHWLBZ-UHFFFAOYSA-N |
| Mol Weight | 274.67 g/mol |
| Molecular Formula | C12H7ClN4O2 |
| Exact Mass | 274.025753 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F3fGud7JL7d |
|---|---|
| Name | 1-(4-Chlorophenyl)-5-nitrobenzotriazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.025753179 u |
| Formula | C12H7ClN4O2 |
| InChI | InChI=1S/C12H7ClN4O2/c13-8-1-3-9(4-2-8)16-12-6-5-10(17(18)19)7-11(12)14-15-16/h1-7H |
| InChIKey | VMXKJJJXRHWLBZ-UHFFFAOYSA-N |
| SMILES | C=12N(N=NC1C=C(C=C2)N(=O)=O)C1=CC=C(C=C1)Cl |