| SpectraBase Compound ID | EFsQl1PaA62 |
|---|---|
| InChI | InChI=1S/C19H18O5/c1-4-23-19(20)24-18-16(22-3)10-8-13-6-5-12-7-9-14(21-2)11-15(12)17(13)18/h5-11H,4H2,1-3H3 |
| InChIKey | JGULBFSCOKKWSF-UHFFFAOYSA-N |
| Mol Weight | 326.35 g/mol |
| Molecular Formula | C19H18O5 |
| Exact Mass | 326.115424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CtpDSgA1EhV |
|---|---|
| Name | Thebaol, o-ethoxycarbonyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.115423675 u |
| Formula | C19H18O5 |
| InChI | InChI=1S/C19H18O5/c1-4-23-19(20)24-18-16(22-3)10-8-13-6-5-12-7-9-14(21-2)11-15(12)17(13)18/h5-11H,4H2,1-3H3 |
| InChIKey | JGULBFSCOKKWSF-UHFFFAOYSA-N |
| Molecular Weight | 326.348 g/mol |
| SMILES | CCOC(OC1=C2C3=C(C=CC2=CC=C1OC)C=CC(=C3)OC)=O |