| SpectraBase Compound ID | 6Jcvwghub5U |
|---|---|
| InChI | InChI=1S/C12H14O4/c1-8-4-5-11(6-9(8)2)16-12(14)7-15-10(3)13/h4-6H,7H2,1-3H3 |
| InChIKey | LLPUZWCCHFJIGV-UHFFFAOYSA-N |
| Mol Weight | 222.24 g/mol |
| Molecular Formula | C12H14O4 |
| Exact Mass | 222.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F5kRviG767a |
|---|---|
| Name | Acetoxyacetic acid, 3,4-dimethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.089208927 u |
| Formula | C12H14O4 |
| InChI | InChI=1S/C12H14O4/c1-8-4-5-11(6-9(8)2)16-12(14)7-15-10(3)13/h4-6H,7H2,1-3H3 |
| InChIKey | LLPUZWCCHFJIGV-UHFFFAOYSA-N |
| Molecular Weight | 222.240 g/mol |
| SMILES | C(COC(C)=O)(OC1=CC=C(C)C(C)=C1)=O |