| SpectraBase Compound ID | 1kKcfvE8c54 |
|---|---|
| InChI | InChI=1S/C19H20N2O3/c1-2-3-14-19(24)17(22)20(15-10-6-4-7-11-15)21(18(19)23)16-12-8-5-9-13-16/h4-13,24H,2-3,14H2,1H3 |
| InChIKey | VTEBWXHYBNAYKI-UHFFFAOYSA-N |
| Mol Weight | 324.38 g/mol |
| Molecular Formula | C19H20N2O3 |
| Exact Mass | 324.147393 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KiCLG1xd0nL |
|---|---|
| Name | Phenylbutazone, 4-hydroxy |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.147392509 u |
| Formula | C19H20N2O3 |
| InChI | InChI=1S/C19H20N2O3/c1-2-3-14-19(24)17(22)20(15-10-6-4-7-11-15)21(18(19)23)16-12-8-5-9-13-16/h4-13,24H,2-3,14H2,1H3 |
| InChIKey | VTEBWXHYBNAYKI-UHFFFAOYSA-N |
| Molecular Weight | 324.380 g/mol |
| SMILES | C1(C(N(C2=CC=CC=C2)N(C1=O)C1=CC=CC=C1)=O)(O)CCCC |