| SpectraBase Compound ID | G0i5DyYjti4 |
|---|---|
| InChI | InChI=1S/C15H14O2/c1-11-5-3-7-13(9-11)15(16)17-14-8-4-6-12(2)10-14/h3-10H,1-2H3 |
| InChIKey | YAYGVOBOOBKUHX-UHFFFAOYSA-N |
| Mol Weight | 226.27 g/mol |
| Molecular Formula | C15H14O2 |
| Exact Mass | 226.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8l6Qu6Sg4Ph |
|---|---|
| Name | m-Toluic acid, 3-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.099379689 u |
| Formula | C15H14O2 |
| InChI | InChI=1S/C15H14O2/c1-11-5-3-7-13(9-11)15(16)17-14-8-4-6-12(2)10-14/h3-10H,1-2H3 |
| InChIKey | YAYGVOBOOBKUHX-UHFFFAOYSA-N |
| Molecular Weight | 226.275 g/mol |
| SMILES | C1=C(C=C(C=C1)C(OC=1C=CC=C(C)C1)=O)C |