| SpectraBase Compound ID | 4EyaLewO2yd |
|---|---|
| InChI | InChI=1S/C12H12O5/c1-9(13)16-8-12(15)17-7-11(14)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3 |
| InChIKey | AOACMRZSFVRMJQ-UHFFFAOYSA-N |
| Mol Weight | 236.22 g/mol |
| Molecular Formula | C12H12O5 |
| Exact Mass | 236.068473 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AX36jKpcq3X |
|---|---|
| Name | 2-Acetoxyacetic acid phenacyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.068473481 u |
| Formula | C12H12O5 |
| InChI | InChI=1S/C12H12O5/c1-9(13)16-8-12(15)17-7-11(14)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3 |
| InChIKey | AOACMRZSFVRMJQ-UHFFFAOYSA-N |
| Molecular Weight | 236.223 g/mol |
| SMILES | C(OCC(=O)C1=CC=CC=C1)(=O)COC(=O)C |