| SpectraBase Compound ID | 6pLQ9CTIlrp |
|---|---|
| InChI | InChI=1S/C18H16N2O2/c1-13-16(12-14-8-6-7-11-17(14)22-2)18(21)20(19-13)15-9-4-3-5-10-15/h3-12H,1-2H3/b16-12+ |
| InChIKey | VVUUOSZAOBPVTG-FOWTUZBSSA-N |
| Mol Weight | 292.34 g/mol |
| Molecular Formula | C18H16N2O2 |
| Exact Mass | 292.121178 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EAeaRMDIGuW |
|---|---|
| Name | 1-Phenyl-3-methyl-4-(2-methoxyphenylmethylene)-5-pyrazolone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.121177761 u |
| Formula | C18H16N2O2 |
| InChI | InChI=1S/C18H16N2O2/c1-13-16(12-14-8-6-7-11-17(14)22-2)18(21)20(19-13)15-9-4-3-5-10-15/h3-12H,1-2H3/b16-12+ |
| InChIKey | VVUUOSZAOBPVTG-FOWTUZBSSA-N |
| SMILES | C=1(\C(C(=O)N(N1)C1=CC=CC=C1)=C/C1=CC=CC=C1OC)C |