| SpectraBase Compound ID | GyMrRe953Qf |
|---|---|
| InChI | InChI=1S/C18H18O4/c1-11(19)22-18-16(21-3)9-7-13-5-4-12-6-8-14(20-2)10-15(12)17(13)18/h6-10H,4-5H2,1-3H3 |
| InChIKey | BZQLLMYLFUFSKK-UHFFFAOYSA-N |
| Mol Weight | 298.34 g/mol |
| Molecular Formula | C18H18O4 |
| Exact Mass | 298.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9bRNy4nssUU |
|---|---|
| Name | Thebaol - acetylated |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.120509056 u |
| Formula | C18H18O4 |
| InChI | InChI=1S/C18H18O4/c1-11(19)22-18-16(21-3)9-7-13-5-4-12-6-8-14(20-2)10-15(12)17(13)18/h6-10H,4-5H2,1-3H3 |
| InChIKey | BZQLLMYLFUFSKK-UHFFFAOYSA-N |
| SMILES | C1=2C(OC(=O)C)=C(OC)C=CC2CCC=2C1=CC(=CC2)OC |