| SpectraBase Compound ID | AB8pxCBvY3l |
|---|---|
| InChI | InChI=1S/C16H16O2/c1-11-5-4-6-14(8-11)16(17)18-15-9-12(2)7-13(3)10-15/h4-10H,1-3H3 |
| InChIKey | KOXGVGQBHWUCCS-UHFFFAOYSA-N |
| Mol Weight | 240.3 g/mol |
| Molecular Formula | C16H16O2 |
| Exact Mass | 240.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AOY2s2hLA15 |
|---|---|
| Name | m-Toluic acid, 3,5-dimethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.115029753 u |
| Formula | C16H16O2 |
| InChI | InChI=1S/C16H16O2/c1-11-5-4-6-14(8-11)16(17)18-15-9-12(2)7-13(3)10-15/h4-10H,1-3H3 |
| InChIKey | KOXGVGQBHWUCCS-UHFFFAOYSA-N |
| Molecular Weight | 240.302 g/mol |
| SMILES | C1(=CC=CC(=C1)C(OC1=CC(=CC(C)=C1)C)=O)C |