| SpectraBase Compound ID | 81peSvCdHMn |
|---|---|
| InChI | InChI=1S/C18H16N2O3/c1-12-15(11-13-7-6-10-16(23-2)17(13)21)18(22)20(19-12)14-8-4-3-5-9-14/h3-11,21H,1-2H3/b15-11+ |
| InChIKey | GCWMEIGAYZAGAU-RVDMUPIBSA-N |
| Mol Weight | 308.34 g/mol |
| Molecular Formula | C18H16N2O3 |
| Exact Mass | 308.116092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CXFN5cORyMn |
|---|---|
| Name | (4E)-4-(2-Hydroxy-3-methoxybenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.116092380 u |
| Formula | C18H16N2O3 |
| InChI | InChI=1S/C18H16N2O3/c1-12-15(11-13-7-6-10-16(23-2)17(13)21)18(22)20(19-12)14-8-4-3-5-9-14/h3-11,21H,1-2H3/b15-11+ |
| InChIKey | GCWMEIGAYZAGAU-RVDMUPIBSA-N |
| SMILES | OC1=C(\C=C\2C(N(C=3C=CC=CC3)N=C2C)=O)C=CC=C1OC |