| SpectraBase Compound ID | 6BtzP9ZhJUk |
|---|---|
| InChI | InChI=1S/C17H16O4/c1-10(2)4-5-12-16-13(8-9-20-16)15(19-3)11-6-7-14(18)21-17(11)12/h4,6-9H,5H2,1-3H3 |
| InChIKey | UZXMLGUMBQQVME-UHFFFAOYSA-N |
| Mol Weight | 284.31 g/mol |
| Molecular Formula | C17H16O4 |
| Exact Mass | 284.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6VIb9QJdiic |
|---|---|
| Name | Swietenocoumarin B |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.104858991 u |
| Formula | C17H16O4 |
| InChI | InChI=1S/C17H16O4/c1-10(2)4-5-12-16-13(8-9-20-16)15(19-3)11-6-7-14(18)21-17(11)12/h4,6-9H,5H2,1-3H3 |
| InChIKey | UZXMLGUMBQQVME-UHFFFAOYSA-N |
| SMILES | COC1=C2C=CC(=O)OC2=C(CC=C(C)C)C=2OC=CC12 |