| SpectraBase Compound ID | JO1IcSyVhJH |
|---|---|
| InChI | InChI=1S/C17H18O4/c1-19-12-5-3-11(4-6-12)16-8-7-14-15(18)9-13(20-2)10-17(14)21-16/h3-6,9-10,16,18H,7-8H2,1-2H3 |
| InChIKey | WBXMTFDJGHMAMJ-UHFFFAOYSA-N |
| Mol Weight | 286.33 g/mol |
| Molecular Formula | C17H18O4 |
| Exact Mass | 286.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4NS527R8Nnm |
|---|---|
| Name | 5-Hydroxy-7,4'-dimethoxyflavane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.120509056 u |
| Formula | C17H18O4 |
| InChI | InChI=1S/C17H18O4/c1-19-12-5-3-11(4-6-12)16-8-7-14-15(18)9-13(20-2)10-17(14)21-16/h3-6,9-10,16,18H,7-8H2,1-2H3 |
| InChIKey | WBXMTFDJGHMAMJ-UHFFFAOYSA-N |
| SMILES | C=12OC(C=3C=CC(=CC3)OC)CCC1C(O)=CC(=C2)OC |