| SpectraBase Compound ID | BIHwR7RRkPW |
|---|---|
| InChI | InChI=1S/C13H10O5/c1-6-11(16)8-4-3-5-9(15)10(8)12(17)13(6)18-7(2)14/h3-5,15H,1-2H3 |
| InChIKey | BZLJEWNTOQFEOS-UHFFFAOYSA-N |
| Mol Weight | 246.22 g/mol |
| Molecular Formula | C13H10O5 |
| Exact Mass | 246.052823 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G0LsBxQR1D9 |
|---|---|
| Name | 3-Acetyloxyplumbagin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.052823417 u |
| Formula | C13H10O5 |
| InChI | InChI=1S/C13H10O5/c1-6-11(16)8-4-3-5-9(15)10(8)12(17)13(6)18-7(2)14/h3-5,15H,1-2H3 |
| InChIKey | BZLJEWNTOQFEOS-UHFFFAOYSA-N |
| Molecular Weight | 246.218 g/mol |
| SMILES | C1(=C(C(=O)C=2C(C1=O)=C(O)C=CC2)C)OC(=O)C |