| SpectraBase Compound ID | 3MNiQZKAx05 |
|---|---|
| InChI | InChI=1S/C16H15FO3/c1-11(12-7-3-5-9-14(12)17)20-16(18)13-8-4-6-10-15(13)19-2/h3-11H,1-2H3 |
| InChIKey | VSAHPJFCCZRPMM-UHFFFAOYSA-N |
| Mol Weight | 274.29 g/mol |
| Molecular Formula | C16H15FO3 |
| Exact Mass | 274.100523 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 41nCTHbnFH7 |
|---|---|
| Name | 2-Methoxybenzoic acid, 2-fluoro-.alpha.-methylbenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.100522503 u |
| Formula | C16H15FO3 |
| InChI | InChI=1S/C16H15FO3/c1-11(12-7-3-5-9-14(12)17)20-16(18)13-8-4-6-10-15(13)19-2/h3-11H,1-2H3 |
| InChIKey | VSAHPJFCCZRPMM-UHFFFAOYSA-N |
| Molecular Weight | 274.291 g/mol |
| SMILES | C1(=CC=CC=C1C(=O)OC(C=1C(=CC=CC1)F)C)OC |