| SpectraBase Compound ID | BuYkvUNIZC7 |
|---|---|
| InChI | InChI=1S/C11H12O4/c1-8(12)15-10(11(13)14-2)9-6-4-3-5-7-9/h3-7,10H,1-2H3 |
| InChIKey | SFGOUECCROBXPW-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 | ZMkeO7DTsq |
|---|---|
| Name | Benzeneacetic acid, .alpha.-(acetyloxy)-, 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)15-10(11(13)14-2)9-6-4-3-5-7-9/h3-7,10H,1-2H3 |
| InChIKey | SFGOUECCROBXPW-UHFFFAOYSA-N |
| Molecular Weight | 208.213 g/mol |
| SMILES | C(C(OC(C)=O)C1=CC=CC=C1)(OC)=O |