| SpectraBase Compound ID | 4ZVtllc2OEQ |
|---|---|
| InChI | InChI=1S/C19H16O5/c1-24-12-8-4-7-11-13(12)19(23)15-14(18(11)22)16(20)9-5-2-3-6-10(9)17(15)21/h2-3,5-6,12,22-23H,4,7-8H2,1H3 |
| InChIKey | BLWFZGYEISZHDB-UHFFFAOYSA-N |
| Mol Weight | 324.33 g/mol |
| Molecular Formula | C19H16O5 |
| Exact Mass | 324.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JptUm2vMHxe |
|---|---|
| Name | 6,11-Dihydroxy-7-methoxy-7,8,9,10-tetrahydro-5,12-naphthacenedione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.099773610 u |
| Formula | C19H16O5 |
| InChI | InChI=1S/C19H16O5/c1-24-12-8-4-7-11-13(12)19(23)15-14(18(11)22)16(20)9-5-2-3-6-10(9)17(15)21/h2-3,5-6,12,22-23H,4,7-8H2,1H3 |
| InChIKey | BLWFZGYEISZHDB-UHFFFAOYSA-N |
| SMILES | OC1=C2C(=C(C3=C1C(C1=C(C3=O)C=CC=C1)=O)O)CCCC2OC |