| SpectraBase Compound ID | L7W0DOBwcae |
|---|---|
| InChI | InChI=1S/C18H14O4/c1-10(2)18(21)22-11-7-8-14-15(9-11)17(20)13-6-4-3-5-12(13)16(14)19/h3-10H,1-2H3 |
| InChIKey | ZZHKNSMJOKPPMJ-UHFFFAOYSA-N |
| Mol Weight | 294.31 g/mol |
| Molecular Formula | C18H14O4 |
| Exact Mass | 294.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KIGfxTLgBJz |
|---|---|
| Name | 2-Hydroxyanthraquinone, 2-methylpropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.089208927 u |
| Formula | C18H14O4 |
| InChI | InChI=1S/C18H14O4/c1-10(2)18(21)22-11-7-8-14-15(9-11)17(20)13-6-4-3-5-12(13)16(14)19/h3-10H,1-2H3 |
| InChIKey | ZZHKNSMJOKPPMJ-UHFFFAOYSA-N |
| Molecular Weight | 294.306 g/mol |
| SMILES | C1(OC(C(C)C)=O)=CC2=C(C=C1)C(=O)C=1C(C2=O)=CC=CC1 |