| SpectraBase Compound ID | Ifo1nRSQDNG |
|---|---|
| InChI | InChI=1S/C12H14O4/c1-5-6(2)10(12(15)16)8(4)7(3)9(5)11(13)14/h1-4H3,(H,13,14)(H,15,16) |
| InChIKey | NEOZDUDLYDUOTE-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 | Fe9xpyQFZmd |
|---|---|
| Name | Tetramethylterephthalic acid |
| 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/c1-5-6(2)10(12(15)16)8(4)7(3)9(5)11(13)14/h1-4H3,(H,13,14)(H,15,16) |
| InChIKey | NEOZDUDLYDUOTE-UHFFFAOYSA-N |
| Molecular Weight | 222.240 g/mol |
| SMILES | OC(C=1C(=C(C(C(O)=O)=C(C1C)C)C)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.900182 |