| SpectraBase Compound ID | 1qTvqIMdmRI |
|---|---|
| InChI | InChI=1S/C10H10O4/c1-14-10(13)6-9(12)7-4-2-3-5-8(7)11/h2-5,11H,6H2,1H3 |
| InChIKey | BQDNYAUFPBTFRR-UHFFFAOYSA-N |
| Mol Weight | 194.19 g/mol |
| Molecular Formula | C10H10O4 |
| Exact Mass | 194.057909 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ag0HWN9HXwc |
|---|---|
| Name | 3-(2-Hydroxyphenyl)-3-keto-propionic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.057908798 u |
| Formula | C10H10O4 |
| InChI | InChI=1S/C10H10O4/c1-14-10(13)6-9(12)7-4-2-3-5-8(7)11/h2-5,11H,6H2,1H3 |
| InChIKey | BQDNYAUFPBTFRR-UHFFFAOYSA-N |
| Molecular Weight | 194.186 g/mol |
| SMILES | C(CC(=O)OC)(C=1C(O)=CC=CC1)=O |