| SpectraBase Compound ID | 1OHr5wTfmUL |
|---|---|
| InChI | InChI=1S/C22H34F2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-26-22(25)21-19(23)16-15-17-20(21)24/h15-17H,2-14,18H2,1H3 |
| InChIKey | RGGPPKTYVRLVRT-UHFFFAOYSA-N |
| Mol Weight | 368.5 g/mol |
| Molecular Formula | C22H34F2O2 |
| Exact Mass | 368.252687 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G6j9vcn7L1k |
|---|---|
| Name | 2,6-Difluorobenzoic acid, pentadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.252686659 u |
| Formula | C22H34F2O2 |
| InChI | InChI=1S/C22H34F2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-26-22(25)21-19(23)16-15-17-20(21)24/h15-17H,2-14,18H2,1H3 |
| InChIKey | RGGPPKTYVRLVRT-UHFFFAOYSA-N |
| Molecular Weight | 368.509 g/mol |
| SMILES | C(=O)(OCCCCCCCCCCCCCCC)C=1C(F)=CC=CC1F |