| SpectraBase Compound ID | AECZfGSGBv8 |
|---|---|
| InChI | InChI=1S/C11H12O4/c1-7(2)15-11(14)9-5-3-8(4-6-9)10(12)13/h3-7H,1-2H3,(H,12,13) |
| InChIKey | RIEGOSCYEGIECP-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 | CTD3ynh0Dgl |
|---|---|
| Name | 1,4-Benzenedicarboxylic acid, mono(1-methylethyl) 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/c1-7(2)15-11(14)9-5-3-8(4-6-9)10(12)13/h3-7H,1-2H3,(H,12,13) |
| InChIKey | RIEGOSCYEGIECP-UHFFFAOYSA-N |
| Molecular Weight | 208.213 g/mol |
| SMILES | CC(C)OC(=O)C1=CC=C(C=C1)C(O)=O |