| SpectraBase Compound ID | L3ybp9osRsf |
|---|---|
| InChI | InChI=1S/C18H16N2O3/c1-12-7-15(21)9-17(23)18(12)16(22)8-13-10-19-20(11-13)14-5-3-2-4-6-14/h2-7,9-11,21,23H,8H2,1H3 |
| InChIKey | WODKLKRZOYPWAJ-UHFFFAOYSA-N |
| Mol Weight | 308.34 g/mol |
| Molecular Formula | C18H16N2O3 |
| Exact Mass | 308.116092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5MseTg013BW |
|---|---|
| Name | 1-(2,4-Dihydroxy-6-methylphenyl)-2-(1-phenyl-1H-pyrazol-4-yl)ethanone |
| 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/c1-12-7-15(21)9-17(23)18(12)16(22)8-13-10-19-20(11-13)14-5-3-2-4-6-14/h2-7,9-11,21,23H,8H2,1H3 |
| InChIKey | WODKLKRZOYPWAJ-UHFFFAOYSA-N |
| SMILES | OC1=CC(=C(C(=C1)O)C(CC1=CN(N=C1)C=1C=CC=CC1)=O)C |