| SpectraBase Compound ID | LcJ5CTYFcSQ |
|---|---|
| InChI | InChI=1S/C17H16O5/c1-19-12-3-2-10-4-11(8-20-15(10)5-12)13-6-16-17(7-14(13)18)22-9-21-16/h2-3,5-7,11,18H,4,8-9H2,1H3 |
| InChIKey | MDMLHUSWWDRCTB-UHFFFAOYSA-N |
| Mol Weight | 300.31 g/mol |
| Molecular Formula | C17H16O5 |
| Exact Mass | 300.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KiFUWZMmEdW |
|---|---|
| Name | 1,3-Benzodioxol-5-ol,6-(7-methoxy-3,4(2H)-dihydro-1-benzopyran-3-yl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.099773610 u |
| Formula | C17H16O5 |
| InChI | InChI=1S/C17H16O5/c1-19-12-3-2-10-4-11(8-20-15(10)5-12)13-6-16-17(7-14(13)18)22-9-21-16/h2-3,5-7,11,18H,4,8-9H2,1H3 |
| InChIKey | MDMLHUSWWDRCTB-UHFFFAOYSA-N |
| SMILES | C12=C(C=C(C=C2)OC)OCC(C1)C1=C(C=C2C(=C1)OCO2)O |