| SpectraBase Compound ID | 41aSxW9mBMn |
|---|---|
| InChI | InChI=1S/C19H25F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-26-19(25)13-14(20)16(22)18(24)17(23)15(13)21/h2-12H2,1H3 |
| InChIKey | LOVOYRLAEIBBPN-UHFFFAOYSA-N |
| Mol Weight | 380.4 g/mol |
| Molecular Formula | C19H25F5O2 |
| Exact Mass | 380.177471 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EXdsS1wDi60 |
|---|---|
| Name | Dodecyl 2,3,4,5,6-pentafluorobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.177470858 u |
| Formula | C19H25F5O2 |
| InChI | InChI=1S/C19H25F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-26-19(25)13-14(20)16(22)18(24)17(23)15(13)21/h2-12H2,1H3 |
| InChIKey | LOVOYRLAEIBBPN-UHFFFAOYSA-N |
| Molecular Weight | 380.399 g/mol |
| SMILES | C(=O)(C1=C(C(=C(C(=C1F)F)F)F)F)OCCCCCCCCCCCC |