| SpectraBase Compound ID | 8SzvDQSwMel |
|---|---|
| InChI | InChI=1S/C15H14O3/c1-11-5-3-4-6-14(11)15(16)18-13-9-7-12(17-2)8-10-13/h3-10H,1-2H3 |
| InChIKey | SSXAFVFFDQRUTP-UHFFFAOYSA-N |
| Mol Weight | 242.27 g/mol |
| Molecular Formula | C15H14O3 |
| Exact Mass | 242.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4oWKCL8HuB6 |
|---|---|
| Name | o-Toluic acid, 4-methoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.094294308 u |
| Formula | C15H14O3 |
| InChI | InChI=1S/C15H14O3/c1-11-5-3-4-6-14(11)15(16)18-13-9-7-12(17-2)8-10-13/h3-10H,1-2H3 |
| InChIKey | SSXAFVFFDQRUTP-UHFFFAOYSA-N |
| Molecular Weight | 242.274 g/mol |
| SMILES | C1=CC=CC(=C1C)C(OC1=CC=C(OC)C=C1)=O |