| SpectraBase Compound ID | BcvFelThq0p |
|---|---|
| InChI | InChI=1S/C16H16O3/c1-12-6-2-3-7-13(12)10-19-11-14-8-4-5-9-15(14)16(17)18/h2-9H,10-11H2,1H3,(H,17,18) |
| InChIKey | AISIYCJZQHKSQQ-UHFFFAOYSA-N |
| Mol Weight | 256.3 g/mol |
| Molecular Formula | C16H16O3 |
| Exact Mass | 256.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1hAS1pIo56F |
|---|---|
| Name | 2-(o-Tolylmethoxymethyl)benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.109944372 u |
| Formula | C16H16O3 |
| InChI | InChI=1S/C16H16O3/c1-12-6-2-3-7-13(12)10-19-11-14-8-4-5-9-15(14)16(17)18/h2-9H,10-11H2,1H3,(H,17,18) |
| InChIKey | AISIYCJZQHKSQQ-UHFFFAOYSA-N |
| Molecular Weight | 256.301 g/mol |
| SMILES | C(C=1C(COCC=2C(C)=CC=CC2)=CC=CC1)(=O)O |