![2H-1-Benzopyran-2-one, 6-[4-(acetyloxy)-3-methyl-2-butenyl]-7-methoxy-](/api/spectrum/CflDuns0XY7/structure.png?h=300&w=458 "2H-1-Benzopyran-2-one, 6-[4-(acetyloxy)-3-methyl-2-butenyl]-7-methoxy-")
| SpectraBase Compound ID | 26XXbrRHtIM |
|---|---|
| InChI | InChI=1S/C17H18O5/c1-11(10-21-12(2)18)4-5-13-8-14-6-7-17(19)22-16(14)9-15(13)20-3/h4,6-9H,5,10H2,1-3H3/b11-4+ |
| InChIKey | KCHCNCDGQAFAFB-NYYWCZLTSA-N |
| Mol Weight | 302.33 g/mol |
| Molecular Formula | C17H18O5 |
| Exact Mass | 302.115424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CflDuns0XY7 |
|---|---|
| Name | 2H-1-Benzopyran-2-one, 6-[4-(acetyloxy)-3-methyl-2-butenyl]-7-methoxy- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.115423675 u |
| Formula | C17H18O5 |
| InChI | InChI=1S/C17H18O5/c1-11(10-21-12(2)18)4-5-13-8-14-6-7-17(19)22-16(14)9-15(13)20-3/h4,6-9H,5,10H2,1-3H3/b11-4+ |
| InChIKey | KCHCNCDGQAFAFB-NYYWCZLTSA-N |
| SMILES | C=12OC(=O)C=CC2=CC(C\C=C\(COC(=O)C)C)=C(C1)OC |