| SpectraBase Compound ID | 5McRaMKF1ma |
|---|---|
| InChI | InChI=1S/C9H8O4/c1-13-9(12)7-4-2-6(3-5-7)8(10)11/h2-5H,1H3,(H,10,11) |
| InChIKey | REIDAMBAPLIATC-UHFFFAOYSA-N |
| Mol Weight | 180.16 g/mol |
| Molecular Formula | C9H8O4 |
| Exact Mass | 180.042259 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BvD5MSfqR8b |
|---|---|
| Name | Terephthalic acid, monomethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.042258734 u |
| Formula | C9H8O4 |
| InChI | InChI=1S/C9H8O4/c1-13-9(12)7-4-2-6(3-5-7)8(10)11/h2-5H,1H3,(H,10,11) |
| InChIKey | REIDAMBAPLIATC-UHFFFAOYSA-N |
| SMILES | OC(C=1C=CC(=CC1)C(OC)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.981329 |