| SpectraBase Compound ID | CEbNbtZEi5Q |
|---|---|
| InChI | InChI=1S/C12H14O4/c1-9(13)16-11-6-3-10(4-7-11)5-8-12(14)15-2/h3-4,6-7H,5,8H2,1-2H3 |
| InChIKey | UOCVMKKUMXGHFF-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 | 2bBgQiCPfCD |
|---|---|
| Name | Benzenepropanoic acid, 4-(acetyloxy)-, methyl 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/c1-9(13)16-11-6-3-10(4-7-11)5-8-12(14)15-2/h3-4,6-7H,5,8H2,1-2H3 |
| InChIKey | UOCVMKKUMXGHFF-UHFFFAOYSA-N |
| Molecular Weight | 222.240 g/mol |
| SMILES | C(CC(OC)=O)C1=CC=C(C=C1)OC(C)=O |