| SpectraBase Compound ID | 9xWn6VtDTy2 |
|---|---|
| InChI | InChI=1S/C15H16O5/c1-9(2)11(16)8-19-14-7-12-10(6-13(14)18-3)4-5-15(17)20-12/h4-7,9H,8H2,1-3H3 |
| InChIKey | NCBMWSJLSVPISS-UHFFFAOYSA-N |
| Mol Weight | 276.29 g/mol |
| Molecular Formula | C15H16O5 |
| Exact Mass | 276.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FlqxZzwrHjS |
|---|---|
| Name | 6-Methoxy-7-(3-methyl-2-oxidanylidene-butoxy)chromen-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.099773610 u |
| Formula | C15H16O5 |
| InChI | InChI=1S/C15H16O5/c1-9(2)11(16)8-19-14-7-12-10(6-13(14)18-3)4-5-15(17)20-12/h4-7,9H,8H2,1-3H3 |
| InChIKey | NCBMWSJLSVPISS-UHFFFAOYSA-N |
| Molecular Weight | 276.288 g/mol |
| SMILES | C1(OC=2C=C(C(=CC2C=C1)OC)OCC(C(C)C)=O)=O |