| SpectraBase Compound ID | LdgZDuPbZEO |
|---|---|
| InChI | InChI=1S/C18H16O3/c1-10-6-13-8-16(20)17(21)9-15(13)18(11(10)2)12-4-3-5-14(19)7-12/h3-9,19-21H,1-2H3 |
| InChIKey | VUOBPFIHSAVJDI-UHFFFAOYSA-N |
| Mol Weight | 280.32 g/mol |
| Molecular Formula | C18H16O3 |
| Exact Mass | 280.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JUsZqQx0kQh |
|---|---|
| Name | Didehydro-3'-demethoxy-6-o-demethyl-guaiacin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.109944372 u |
| Formula | C18H16O3 |
| InChI | InChI=1S/C18H16O3/c1-10-6-13-8-16(20)17(21)9-15(13)18(11(10)2)12-4-3-5-14(19)7-12/h3-9,19-21H,1-2H3 |
| InChIKey | VUOBPFIHSAVJDI-UHFFFAOYSA-N |
| SMILES | C12=C(C=3C=C(O)C=CC3)C(C)=C(C=C1C=C(C(=C2)O)O)C |