| SpectraBase Compound ID | IXmwt82jHY2 |
|---|---|
| InChI | InChI=1S/C21H22O4/c1-13(2)4-5-15-10-17-18(23)11-20(14-6-8-16(22)9-7-14)25-21(17)12-19(15)24-3/h4,6-10,12,20,22H,5,11H2,1-3H3/t20-/m0/s1 |
| InChIKey | VOCGSQHKPZSIKB-FQEVSTJZSA-N |
| Mol Weight | 338.4 g/mol |
| Molecular Formula | C21H22O4 |
| Exact Mass | 338.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AreTKq7F6mA |
|---|---|
| Name | Bavachinin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.151809184 u |
| Formula | C21H22O4 |
| InChI | InChI=1S/C21H22O4/c1-13(2)4-5-15-10-17-18(23)11-20(14-6-8-16(22)9-7-14)25-21(17)12-19(15)24-3/h4,6-10,12,20,22H,5,11H2,1-3H3/t20-/m0/s1 |
| InChIKey | VOCGSQHKPZSIKB-FQEVSTJZSA-N |
| Molecular Weight | 338.403 g/mol |
| SMILES | [C@@]1(CC(=O)C2=CC(=C(C=C2O1)OC)CC=C(C)C)(C1=CC=C(C=C1)O)[H] |