| SpectraBase Compound ID | 1t7UX2mckwK |
|---|---|
| InChI | InChI=1S/C15H12O5/c1-10(16)19-13-3-2-4-14(9-13)20-12-7-5-11(6-8-12)15(17)18/h2-9H,1H3,(H,17,18) |
| InChIKey | PYJZFSCAKHRLSC-UHFFFAOYSA-N |
| Mol Weight | 272.26 g/mol |
| Molecular Formula | C15H12O5 |
| Exact Mass | 272.068473 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IdxbHBWDdJe |
|---|---|
| Name | 4-(3-Acetoxyphenoxy)benzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.068473481 u |
| Formula | C15H12O5 |
| InChI | InChI=1S/C15H12O5/c1-10(16)19-13-3-2-4-14(9-13)20-12-7-5-11(6-8-12)15(17)18/h2-9H,1H3,(H,17,18) |
| InChIKey | PYJZFSCAKHRLSC-UHFFFAOYSA-N |
| SMILES | C(C1=CC=C(C=C1)OC1=CC(=CC=C1)OC(=O)C)(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955923 |