| SpectraBase Compound ID | 4IWvuqeAUlJ |
|---|---|
| InChI | InChI=1S/C19H28F2O2/c1-3-5-6-7-8-9-11-16(10-4-2)23-19(22)15-12-13-17(20)18(21)14-15/h12-14,16H,3-11H2,1-2H3 |
| InChIKey | WBIUDEYXKUJGNB-UHFFFAOYSA-N |
| Mol Weight | 326.43 g/mol |
| Molecular Formula | C19H28F2O2 |
| Exact Mass | 326.205736 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9CZcfPytVwT |
|---|---|
| Name | 3,4-Difluorobenzoic acid, 4-dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.205736466 u |
| Formula | C19H28F2O2 |
| InChI | InChI=1S/C19H28F2O2/c1-3-5-6-7-8-9-11-16(10-4-2)23-19(22)15-12-13-17(20)18(21)14-15/h12-14,16H,3-11H2,1-2H3 |
| InChIKey | WBIUDEYXKUJGNB-UHFFFAOYSA-N |
| Molecular Weight | 326.428 g/mol |
| SMILES | C1(=CC(=CC=C1F)C(OC(CCC)CCCCCCCC)=O)F |