| SpectraBase Compound ID | 2eGapltb9X3 |
|---|---|
| InChI | InChI=1S/C14H10O5/c15-13(16)9-6-7-11(14(17)18)12(8-9)19-10-4-2-1-3-5-10/h1-8H,(H,15,16)(H,17,18) |
| InChIKey | VQIKAPKIEUECEL-UHFFFAOYSA-N |
| Mol Weight | 258.23 g/mol |
| Molecular Formula | C14H10O5 |
| Exact Mass | 258.052823 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HVZXWgGZgMG |
|---|---|
| Name | 2-Phenoxy-1,4-benzenedicarboxylic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.052823417 u |
| Formula | C14H10O5 |
| InChI | InChI=1S/C14H10O5/c15-13(16)9-6-7-11(14(17)18)12(8-9)19-10-4-2-1-3-5-10/h1-8H,(H,15,16)(H,17,18) |
| InChIKey | VQIKAPKIEUECEL-UHFFFAOYSA-N |
| SMILES | C1=C(C(=CC=C1C(O)=O)C(O)=O)OC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.985124 |