SpectraBase Compound ID | FNGhx7kaOgH |
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InChI | InChI=1S/C22H34F2O2/c1-3-5-6-7-8-9-10-11-12-15-18(14-4-2)26-22(25)21-19(23)16-13-17-20(21)24/h13,16-18H,3-12,14-15H2,1-2H3 |
InChIKey | NXQWBEDRDVGTFD-UHFFFAOYSA-N |
Mol Weight | 368.5 g/mol |
Molecular Formula | C22H34F2O2 |
Exact Mass | 368.252687 g/mol |
SpectraBase Spectrum ID | Dbkaz2KeHrM |
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Name | 2,6-Difluorobenzoic acid, 4-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/c1-3-5-6-7-8-9-10-11-12-15-18(14-4-2)26-22(25)21-19(23)16-13-17-20(21)24/h13,16-18H,3-12,14-15H2,1-2H3 |
InChIKey | NXQWBEDRDVGTFD-UHFFFAOYSA-N |
Molecular Weight | 368.509 g/mol |
SMILES | C1=CC=C(C(=C1F)C(OC(CCCCCCCCCCC)CCC)=O)F |