| SpectraBase Compound ID | 2CNTyJ0bdhd |
|---|---|
| InChI | InChI=1S/C13H8ClN5O2/c14-10-3-1-9(2-4-10)13-15-17-18(16-13)11-5-7-12(8-6-11)19(20)21/h1-8H |
| InChIKey | DJRVFAHWYCDJAH-UHFFFAOYSA-N |
| Mol Weight | 301.69 g/mol |
| Molecular Formula | C13H8ClN5O2 |
| Exact Mass | 301.036652 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4zzZsH8Lc4D |
|---|---|
| Name | 2-(4-Nitrophenyl)-5-(4-chlorphenyl)-tetrazol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.036652216 u |
| Formula | C13H8ClN5O2 |
| InChI | InChI=1S/C13H8ClN5O2/c14-10-3-1-9(2-4-10)13-15-17-18(16-13)11-5-7-12(8-6-11)19(20)21/h1-8H |
| InChIKey | DJRVFAHWYCDJAH-UHFFFAOYSA-N |
| Molecular Weight | 301.693 g/mol |
| SMILES | C1(=CC=C(C=C1)Cl)C=1N=NN(N1)C1=CC=C(C=C1)N(=O)=O |