| SpectraBase Compound ID | LYJrtfX9ogs |
|---|---|
| InChI | InChI=1S/C17H19F5O4/c1-2-3-4-5-6-11-14(23)25-12-9-7-8-10-13(12)26-15(24)16(18,19)17(20,21)22/h7-10H,2-6,11H2,1H3 |
| InChIKey | KGUIYNVSWVMONX-UHFFFAOYSA-N |
| Mol Weight | 382.33 g/mol |
| Molecular Formula | C17H19F5O4 |
| Exact Mass | 382.12035 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9SeN6QjzIkK |
|---|---|
| Name | 1,2-Benzenediol, o-octanoyl-o'-pentafluoropropionyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.120349903 u |
| Formula | C17H19F5O4 |
| InChI | InChI=1S/C17H19F5O4/c1-2-3-4-5-6-11-14(23)25-12-9-7-8-10-13(12)26-15(24)16(18,19)17(20,21)22/h7-10H,2-6,11H2,1H3 |
| InChIKey | KGUIYNVSWVMONX-UHFFFAOYSA-N |
| Molecular Weight | 382.327 g/mol |
| SMILES | C1(=CC=CC=C1OC(CCCCCCC)=O)OC(C(C(F)(F)F)(F)F)=O |