| SpectraBase Compound ID | 1DaYqhbVARa |
|---|---|
| InChI | InChI=1S/C12H10O5/c1-6-8-3-2-7(13)4-10(8)17-12(16)9(6)5-11(14)15/h2-4,13H,5H2,1H3,(H,14,15) |
| InChIKey | OOGKDHCQSZAEQI-UHFFFAOYSA-N |
| Mol Weight | 234.21 g/mol |
| Molecular Formula | C12H10O5 |
| Exact Mass | 234.052823 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 | 7Lugh1gejiD |
|---|---|
| Name | (7-Hydroxy-4-methyl-2-oxochromen-3-yl)acetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.052823417 u |
| Formula | C12H10O5 |
| InChI | InChI=1S/C12H10O5/c1-6-8-3-2-7(13)4-10(8)17-12(16)9(6)5-11(14)15/h2-4,13H,5H2,1H3,(H,14,15) |
| InChIKey | OOGKDHCQSZAEQI-UHFFFAOYSA-N |
| Molecular Weight | 234.207 g/mol |
| SMILES | C=1(C2=C(C=C(C=C2)O)OC(C1CC(O)=O)=O)C |