| SpectraBase Compound ID | 8lcD04D5f0e |
|---|---|
| InChI | InChI=1S/C19H13NO5/c1-22-9-3-4-10-12(7-9)16(21)15-13-11(5-6-20-15)17(23-2)19-18(14(10)13)24-8-25-19/h3-7H,8H2,1-2H3 |
| InChIKey | COZVCMSRTUAQHU-UHFFFAOYSA-N |
| Mol Weight | 335.32 g/mol |
| Molecular Formula | C19H13NO5 |
| Exact Mass | 335.079373 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5A8oYxIlCJB |
|---|---|
| Name | Oxobuxifoline |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H13NO5 |
| InChI | InChI=1S/C19H13NO5/c1-22-9-3-4-10-12(7-9)16(21)15-13-11(5-6-20-15)17(23-2)19-18(14(10)13)24-8-25-19/h3-7H,8H2,1-2H3 |
| InChIKey | COZVCMSRTUAQHU-UHFFFAOYSA-N |
| Molecular Weight | 335.315 g/mol |
| SMILES | c1-2c3c(nccc3c(c3c1OCO3)OC)C(c1c2ccc(OC)c1)=O |
| SPLASH | splash10-0079-0009000000-4883cfedefd306592303 |
| Source of Spectrum | X2-46-805-339 |
| Wiley ID | 1601344 |