| SpectraBase Compound ID | ExYSnaXcUwz |
|---|---|
| InChI | InChI=1S/C10H10O4/c1-14-9(11)6-7-4-2-3-5-8(7)10(12)13/h2-5H,6H2,1H3,(H,12,13) |
| InChIKey | UKPMFGARCZOXDI-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 | 1WYSgNewR8G |
|---|---|
| Name | Phenacetic acid, 2-carboxy-, 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/c1-14-9(11)6-7-4-2-3-5-8(7)10(12)13/h2-5H,6H2,1H3,(H,12,13) |
| InChIKey | UKPMFGARCZOXDI-UHFFFAOYSA-N |
| Molecular Weight | 194.186 g/mol |
| SMILES | C1(=C(C=CC=C1)CC(OC)=O)C(=O)O |