| SpectraBase Compound ID | CRpvnIUuFqH |
|---|---|
| InChI | InChI=1S/C12H14O4/c1-7-8(2)10(12(14)16-4)6-5-9(7)11(13)15-3/h5-6H,1-4H3 |
| InChIKey | AJGNHTAXGFNFPP-UHFFFAOYSA-N |
| Mol Weight | 222.24 g/mol |
| Molecular Formula | C12H14O4 |
| Exact Mass | 222.089209 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Bv03LIC5YUN |
|---|---|
| Name | 2,3-Dimethylterephthalic acid, dimethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.089208927 u |
| Formula | C12H14O4 |
| InChI | InChI=1S/C12H14O4/c1-7-8(2)10(12(14)16-4)6-5-9(7)11(13)15-3/h5-6H,1-4H3 |
| InChIKey | AJGNHTAXGFNFPP-UHFFFAOYSA-N |
| Molecular Weight | 222.240 g/mol |
| SMILES | C(=O)(C1=CC=C(C(=O)OC)C(C)=C1C)OC |
| Spectrum/Structure Validation Score (Raman) | 0.908387 |