| SpectraBase Compound ID | L3Ax7Lqqic0 |
|---|---|
| InChI | InChI=1S/C17H13ClN2O/c1-12-16(11-13-7-9-14(18)10-8-13)17(21)20(19-12)15-5-3-2-4-6-15/h2-11H,1H3/b16-11+ |
| InChIKey | BGJYICFWALJLBY-LFIBNONCSA-N |
| Mol Weight | 296.76 g/mol |
| Molecular Formula | C17H13ClN2O |
| Exact Mass | 296.071641 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G5hRsRVL5dn |
|---|---|
| Name | Pyrazol-5(4H)-one, 4-(4-chlorobenzylideno)-3-methyl-1-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.071640746 u |
| Formula | C17H13ClN2O |
| InChI | InChI=1S/C17H13ClN2O/c1-12-16(11-13-7-9-14(18)10-8-13)17(21)20(19-12)15-5-3-2-4-6-15/h2-11H,1H3/b16-11+ |
| InChIKey | BGJYICFWALJLBY-LFIBNONCSA-N |
| Molecular Weight | 296.757 g/mol |
| SMILES | C1(\C(C(=NN1C1=CC=CC=C1)C)=C\C1=CC=C(C=C1)Cl)=O |