| SpectraBase Compound ID | Eh0onqVtwMe |
|---|---|
| InChI | InChI=1S/C14H12O3/c1-10-7-8-12(14(15)16)13(9-10)17-11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16) |
| InChIKey | AEJLQNNFTDFGBY-UHFFFAOYSA-N |
| Mol Weight | 228.25 g/mol |
| Molecular Formula | C14H12O3 |
| Exact Mass | 228.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IUTylDNUn32 |
|---|---|
| Name | 4-Methyl-2-phenoxy-benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.078644243 u |
| Formula | C14H12O3 |
| InChI | InChI=1S/C14H12O3/c1-10-7-8-12(14(15)16)13(9-10)17-11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16) |
| InChIKey | AEJLQNNFTDFGBY-UHFFFAOYSA-N |
| Molecular Weight | 228.247 g/mol |
| SMILES | C=1(C(OC=2C=CC=CC2)=CC(=CC1)C)C(=O)O |