| SpectraBase Compound ID | 7L2OSpPgY5G |
|---|---|
| InChI | InChI=1S/C15H16O5/c1-9(2)12(20-17)7-11-6-10-4-5-15(16)19-14(10)8-13(11)18-3/h4-6,8,12,17H,1,7H2,2-3H3 |
| InChIKey | LZJVVLHCLPNUJM-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 | BFaljc25Z7u |
|---|---|
| Name | 2H-1-Benzopyran-2-one, 6-(2-hydroperoxy-3-methyl-3-butenyl)-7-methoxy- |
| 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)12(20-17)7-11-6-10-4-5-15(16)19-14(10)8-13(11)18-3/h4-6,8,12,17H,1,7H2,2-3H3 |
| InChIKey | LZJVVLHCLPNUJM-UHFFFAOYSA-N |
| Molecular Weight | 276.288 g/mol |
| SMILES | C=12OC(=O)C=CC2=CC(CC(C(=C)C)OO)=C(C1)OC |