![Benzoic acid, 4-[(acetyloxy)methyl]-, methyl ester](/api/spectrum/AA91zp3UxCZ/structure.png?h=300&w=458 "Benzoic acid, 4-[(acetyloxy)methyl]-, methyl ester")
| SpectraBase Compound ID | 9HDtUw05Jxe |
|---|---|
| InChI | InChI=1S/C11H12O4/c1-8(12)15-7-9-3-5-10(6-4-9)11(13)14-2/h3-6H,7H2,1-2H3 |
| InChIKey | HQTKRZQPZMGMAP-UHFFFAOYSA-N |
| Mol Weight | 208.21 g/mol |
| Molecular Formula | C11H12O4 |
| Exact Mass | 208.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AA91zp3UxCZ |
|---|---|
| Name | Benzoic acid, 4-[(acetyloxy)methyl]-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.073558862 u |
| Formula | C11H12O4 |
| InChI | InChI=1S/C11H12O4/c1-8(12)15-7-9-3-5-10(6-4-9)11(13)14-2/h3-6H,7H2,1-2H3 |
| InChIKey | HQTKRZQPZMGMAP-UHFFFAOYSA-N |
| Molecular Weight | 208.213 g/mol |
| SMILES | COC(=O)C1=CC=C(C=C1)COC(=O)C |