| SpectraBase Compound ID | 9VCtoMmllGo |
|---|---|
| InChI | InChI=1S/C11H15F7O2/c1-2-3-4-5-6-7-20-8(19)9(12,13)10(14,15)11(16,17)18/h2-7H2,1H3 |
| InChIKey | DUJUFOWMNOQMBF-UHFFFAOYSA-N |
| Mol Weight | 312.23 g/mol |
| Molecular Formula | C11H15F7O2 |
| Exact Mass | 312.096027 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 48DqieJWMZf |
|---|---|
| Name | Heptafluorobutyric acid, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.096026862 u |
| Formula | C11H15F7O2 |
| InChI | InChI=1S/C11H15F7O2/c1-2-3-4-5-6-7-20-8(19)9(12,13)10(14,15)11(16,17)18/h2-7H2,1H3 |
| InChIKey | DUJUFOWMNOQMBF-UHFFFAOYSA-N |
| Molecular Weight | 312.228 g/mol |
| SMILES | C(C(C(=O)OCCCCCCC)(F)F)(C(F)(F)F)(F)F |