| SpectraBase Compound ID | 5s5NJVJkEyo |
|---|---|
| InChI | InChI=1S/C16H16O6/c1-16(2)6-8(17)11-12(18)7-4-5-9(21-3)13(19)10(7)14(20)15(11)22-16/h4-5,8,17,19H,6H2,1-3H3/t8-/m1/s1 |
| InChIKey | PSXYXGUFIFFALZ-MRVPVSSYSA-N |
| Mol Weight | 304.3 g/mol |
| Molecular Formula | C16H16O6 |
| Exact Mass | 304.094688 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9C8Q45HJgD4 |
|---|---|
| Name | (4R)-4,9-Dihydroxy-8-methoxy-.alpha.lapachone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.094688229 u |
| Formula | C16H16O6 |
| InChI | InChI=1S/C16H16O6/c1-16(2)6-8(17)11-12(18)7-4-5-9(21-3)13(19)10(7)14(20)15(11)22-16/h4-5,8,17,19H,6H2,1-3H3/t8-/m1/s1 |
| InChIKey | PSXYXGUFIFFALZ-MRVPVSSYSA-N |
| Molecular Weight | 304.298 g/mol |
| SMILES | C12=C(C(=O)C=3C(C2=O)=CC=C(OC)C3O)OC(C[C@]1(O)[H])(C)C |