| SpectraBase Compound ID | Cd7fMoMOy6d |
|---|---|
| InChI | InChI=1S/C16H18O6/c1-3-5-10(18)15-12(20)7-11(19)14-8(9(17)4-2)6-13(21)22-16(14)15/h6-7,9,17,19-20H,3-5H2,1-2H3 |
| InChIKey | OKJPGIIPDCFJTO-UHFFFAOYSA-N |
| Mol Weight | 306.31 g/mol |
| Molecular Formula | C16H18O6 |
| Exact Mass | 306.110338 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6KHa55sNkl9 |
|---|---|
| Name | 2H-1-Benzopyran-2-one, 5,7-dihydroxy-4-(1-hydroxypropyl)-8-(1-oxobutyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.110338294 u |
| Formula | C16H18O6 |
| InChI | InChI=1S/C16H18O6/c1-3-5-10(18)15-12(20)7-11(19)14-8(9(17)4-2)6-13(21)22-16(14)15/h6-7,9,17,19-20H,3-5H2,1-2H3 |
| InChIKey | OKJPGIIPDCFJTO-UHFFFAOYSA-N |
| SMILES | C1=2C(=C(C(=O)CCC)C(=CC2O)O)OC(C=C1C(O)CC)=O |