| SpectraBase Compound ID | KXXL5lAOVit |
|---|---|
| InChI | InChI=1S/C16H13ClN2O2/c1-11(20)15(16(21)12-5-3-2-4-6-12)19-18-14-9-7-13(17)8-10-14/h2-10,18H,1H3/b19-15+ |
| InChIKey | CNAJFJWATOUHQU-XDJHFCHBSA-N |
| Mol Weight | 300.75 g/mol |
| Molecular Formula | C16H13ClN2O2 |
| Exact Mass | 300.066555 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fe7LJB2HVfR |
|---|---|
| Name | 1-Phenyl-1,2,3-butanetrione, 2-(p-chlorophenyl)hydrazone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.066555365 u |
| Formula | C16H13ClN2O2 |
| InChI | InChI=1S/C16H13ClN2O2/c1-11(20)15(16(21)12-5-3-2-4-6-12)19-18-14-9-7-13(17)8-10-14/h2-10,18H,1H3/b19-15+ |
| InChIKey | CNAJFJWATOUHQU-XDJHFCHBSA-N |
| SMILES | N(C1=CC=C(C=C1)Cl)\N=C\(C(=O)C=1C=CC=CC1)C(C)=O |