| SpectraBase Compound ID | BZr9qXFYV3p |
|---|---|
| InChI | InChI=1S/C15H9ClN4O/c16-12-7-4-8-13(9-12)20-14(11-5-2-1-3-6-11)15(17-10-21)18-19-20/h1-9H |
| InChIKey | QOKXLHRPSLHMAM-UHFFFAOYSA-N |
| Mol Weight | 296.72 g/mol |
| Molecular Formula | C15H9ClN4O |
| Exact Mass | 296.046489 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KgQwS2gbzQN |
|---|---|
| Name | 1-(3-Chlorophenyl)-4-isocyanato-5-phenyl-1,2,3-triazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.046488625 u |
| Formula | C15H9ClN4O |
| InChI | InChI=1S/C15H9ClN4O/c16-12-7-4-8-13(9-12)20-14(11-5-2-1-3-6-11)15(17-10-21)18-19-20/h1-9H |
| InChIKey | QOKXLHRPSLHMAM-UHFFFAOYSA-N |
| Molecular Weight | 296.717 g/mol |
| SMILES | C=1(N=C=O)N=NN(C1C1=CC=CC=C1)C1=CC(=CC=C1)Cl |