| SpectraBase Compound ID | 7VBFIAmRLdi |
|---|---|
| InChI | InChI=1S/C18H14O4/c1-10(2)18(21)22-14-9-5-8-13-15(14)17(20)12-7-4-3-6-11(12)16(13)19/h3-10H,1-2H3 |
| InChIKey | MCECXTRSIHIFIW-UHFFFAOYSA-N |
| Mol Weight | 294.31 g/mol |
| Molecular Formula | C18H14O4 |
| Exact Mass | 294.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DECgen8weIl |
|---|---|
| Name | 1-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)22-14-9-5-8-13-15(14)17(20)12-7-4-3-6-11(12)16(13)19/h3-10H,1-2H3 |
| InChIKey | MCECXTRSIHIFIW-UHFFFAOYSA-N |
| Molecular Weight | 294.306 g/mol |
| SMILES | C1(OC(C(C)C)=O)=C2C(=CC=C1)C(=O)C=1C(C2=O)=CC=CC1 |