| SpectraBase Compound ID | 17MTA2dWKVc |
|---|---|
| InChI | InChI=1S/C17H13F3O4/c1-9(2)7-8-12-13(21)10-5-3-4-6-11(10)14(22)15(12)24-16(23)17(18,19)20/h3-7H,8H2,1-2H3 |
| InChIKey | YOCROTIGPQHMFG-UHFFFAOYSA-N |
| Mol Weight | 338.28 g/mol |
| Molecular Formula | C17H13F3O4 |
| Exact Mass | 338.076593 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KXxiGApXLU |
|---|---|
| Name | Lapachol, trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.076593384 u |
| Formula | C17H13F3O4 |
| InChI | InChI=1S/C17H13F3O4/c1-9(2)7-8-12-13(21)10-5-3-4-6-11(10)14(22)15(12)24-16(23)17(18,19)20/h3-7H,8H2,1-2H3 |
| InChIKey | YOCROTIGPQHMFG-UHFFFAOYSA-N |
| Molecular Weight | 338.282 g/mol |
| SMILES | C1(=O)C2=C(C(C(=C1CC=C(C)C)OC(C(F)(F)F)=O)=O)C=CC=C2 |