| SpectraBase Compound ID | I7slXvPeGvS |
|---|---|
| InChI | InChI=1S/C15H14O2/c1-11-7-3-5-9-13(11)15(16)17-14-10-6-4-8-12(14)2/h3-10H,1-2H3 |
| InChIKey | LTGUAGZARBSKTA-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 | JiQX0Z4KNA0 |
|---|---|
| Name | o-Toluic acid, 2-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/c1-11-7-3-5-9-13(11)15(16)17-14-10-6-4-8-12(14)2/h3-10H,1-2H3 |
| InChIKey | LTGUAGZARBSKTA-UHFFFAOYSA-N |
| Molecular Weight | 226.275 g/mol |
| SMILES | C1=C(C(C(OC2=C(C=CC=C2)C)=O)=CC=C1)C |