| SpectraBase Compound ID | Ae4s4KY6azV |
|---|---|
| InChI | InChI=1S/C21H22N2O4/c1-3-4-10-19-20(25)22(16-8-6-5-7-9-16)23(21(19)26)17-11-13-18(14-12-17)27-15(2)24/h5-9,11-14,19H,3-4,10H2,1-2H3 |
| InChIKey | OFWIUVGFAFHEIF-UHFFFAOYSA-N |
| Mol Weight | 366.42 g/mol |
| Molecular Formula | C21H22N2O4 |
| Exact Mass | 366.157957 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5UvWfZ9b3Ue |
|---|---|
| Name | Oxyphenbutazone acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.157957192 u |
| Formula | C21H22N2O4 |
| InChI | InChI=1S/C21H22N2O4/c1-3-4-10-19-20(25)22(16-8-6-5-7-9-16)23(21(19)26)17-11-13-18(14-12-17)27-15(2)24/h5-9,11-14,19H,3-4,10H2,1-2H3 |
| InChIKey | OFWIUVGFAFHEIF-UHFFFAOYSA-N |
| Molecular Weight | 366.417 g/mol |
| SMILES | C1(N(N(C(C1CCCC)=O)C1=CC=C(C=C1)OC(C)=O)C1=CC=CC=C1)=O |