| SpectraBase Compound ID | 4mzAnuGLC9L |
|---|---|
| InChI | InChI=1S/C15H9ClN2O/c16-12-6-3-5-11(8-12)15(19)14-9-10-4-1-2-7-13(10)17-18-14/h1-9H |
| InChIKey | ZFJCGYBAXLPHDR-UHFFFAOYSA-N |
| Mol Weight | 268.7 g/mol |
| Molecular Formula | C15H9ClN2O |
| Exact Mass | 268.040341 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4cCh8orxTd6 |
|---|---|
| Name | (3-Chlorophenyl)(cinnolin-3-yl)methanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.040340617 u |
| Formula | C15H9ClN2O |
| InChI | InChI=1S/C15H9ClN2O/c16-12-6-3-5-11(8-12)15(19)14-9-10-4-1-2-7-13(10)17-18-14/h1-9H |
| InChIKey | ZFJCGYBAXLPHDR-UHFFFAOYSA-N |
| SMILES | C=1C=C2C=C(C(C3=CC=CC(=C3)Cl)=O)N=NC2=CC1 |