| SpectraBase Compound ID | 6IGbTBVJgpt |
|---|---|
| InChI | InChI=1S/C17H19F5O2/c1-9(2)5-4-6-10(3)7-8-24-17(23)11-12(18)14(20)16(22)15(21)13(11)19/h5,10H,4,6-8H2,1-3H3 |
| InChIKey | QDATXLSCTYMETC-UHFFFAOYSA-N |
| Mol Weight | 350.33 g/mol |
| Molecular Formula | C17H19F5O2 |
| Exact Mass | 350.130521 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7zLl2fjArPW |
|---|---|
| Name | 3,7-Dimethyloct-6-enyl 2,3,4,5,6-pentafluorobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.130520665 u |
| Formula | C17H19F5O2 |
| InChI | InChI=1S/C17H19F5O2/c1-9(2)5-4-6-10(3)7-8-24-17(23)11-12(18)14(20)16(22)15(21)13(11)19/h5,10H,4,6-8H2,1-3H3 |
| InChIKey | QDATXLSCTYMETC-UHFFFAOYSA-N |
| Molecular Weight | 350.329 g/mol |
| SMILES | C(=O)(C1=C(C(=C(C(=C1F)F)F)F)F)OCCC(CCC=C(C)C)C |