| SpectraBase Compound ID | 8CqafT23c2O |
|---|---|
| InChI | InChI=1S/C19H20O4/c1-11(2)9-10-15-16(20)13-7-5-6-8-14(13)17(21)18(15)23-19(22)12(3)4/h5-9,12H,10H2,1-4H3 |
| InChIKey | XZADPFSBUCRPQA-UHFFFAOYSA-N |
| Mol Weight | 312.37 g/mol |
| Molecular Formula | C19H20O4 |
| Exact Mass | 312.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EWbEdandlib |
|---|---|
| Name | Lapachol, 2-methylpropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.136159120 u |
| Formula | C19H20O4 |
| InChI | InChI=1S/C19H20O4/c1-11(2)9-10-15-16(20)13-7-5-6-8-14(13)17(21)18(15)23-19(22)12(3)4/h5-9,12H,10H2,1-4H3 |
| InChIKey | XZADPFSBUCRPQA-UHFFFAOYSA-N |
| Molecular Weight | 312.365 g/mol |
| SMILES | C1(=O)C2=C(C(C(=C1CC=C(C)C)OC(C(C)C)=O)=O)C=CC=C2 |