| SpectraBase Compound ID | 85wAPPkyhWF |
|---|---|
| InChI | InChI=1S/C11H12O4/c1-7-6-8(10(12)14-2)4-5-9(7)11(13)15-3/h4-6H,1-3H3 |
| InChIKey | DXIRJLBDSXBZCS-UHFFFAOYSA-N |
| Mol Weight | 208.21 g/mol |
| Molecular Formula | C11H12O4 |
| Exact Mass | 208.073559 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1epwFccJc8m |
|---|---|
| Name | Methylterephthalic acid, dimethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.073558862 u |
| Formula | C11H12O4 |
| InChI | InChI=1S/C11H12O4/c1-7-6-8(10(12)14-2)4-5-9(7)11(13)15-3/h4-6H,1-3H3 |
| InChIKey | DXIRJLBDSXBZCS-UHFFFAOYSA-N |
| Molecular Weight | 208.213 g/mol |
| SMILES | C(=O)(C1=CC=C(C=C1C)C(=O)OC)OC |
| Spectrum/Structure Validation Score (Raman) | 0.978036 |