| SpectraBase Compound ID | 7zr9KVWdn0Q |
|---|---|
| InChI | InChI=1S/C17H21F5O2/c1-2-3-4-5-6-7-8-9-10-24-17(23)11-12(18)14(20)16(22)15(21)13(11)19/h2-10H2,1H3 |
| InChIKey | LXMRVZIXAUJRAE-UHFFFAOYSA-N |
| Mol Weight | 352.35 g/mol |
| Molecular Formula | C17H21F5O2 |
| Exact Mass | 352.146171 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LUpEx7CCr0e |
|---|---|
| Name | Decyl 2,3,4,5,6-pentafluorobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.146170729 u |
| Formula | C17H21F5O2 |
| InChI | InChI=1S/C17H21F5O2/c1-2-3-4-5-6-7-8-9-10-24-17(23)11-12(18)14(20)16(22)15(21)13(11)19/h2-10H2,1H3 |
| InChIKey | LXMRVZIXAUJRAE-UHFFFAOYSA-N |
| Molecular Weight | 352.345 g/mol |
| SMILES | C(=O)(C1=C(C(=C(C(=C1F)F)F)F)F)OCCCCCCCCCC |