| SpectraBase Compound ID | 8M75jJiK3ut |
|---|---|
| InChI | InChI=1S/C8H6O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H,(H,10,11)(H,12,13) |
| InChIKey | BCEQKAQCUWUNML-UHFFFAOYSA-N |
| Mol Weight | 182.13 g/mol |
| Molecular Formula | C8H6O5 |
| Exact Mass | 182.021523 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8fO1dqOqox6 |
|---|---|
| Name | 4-Hydroxyisophthalic |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.021523288 u |
| Formula | C8H6O5 |
| InChI | InChI=1S/C8H6O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H,(H,10,11)(H,12,13) |
| InChIKey | BCEQKAQCUWUNML-UHFFFAOYSA-N |
| SMILES | OC(C=1C(=CC=C(C(O)=O)C1)O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.815231 |