| SpectraBase Compound ID | I31N0Lms4nX |
|---|---|
| InChI | InChI=1S/C14H21F7O2/c1-5-11(4,8-6-7-9(2)3)23-10(22)12(15,16)13(17,18)14(19,20)21/h9H,5-8H2,1-4H3 |
| InChIKey | VJSHUTNPFFCVST-UHFFFAOYSA-N |
| Mol Weight | 354.31 g/mol |
| Molecular Formula | C14H21F7O2 |
| Exact Mass | 354.142977 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | dEEBEkLjzy |
|---|---|
| Name | 2,6-Dimethyl-6-heptafluorobutyryloxyoctane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.142977055 u |
| Formula | C14H21F7O2 |
| InChI | InChI=1S/C14H21F7O2/c1-5-11(4,8-6-7-9(2)3)23-10(22)12(15,16)13(17,18)14(19,20)21/h9H,5-8H2,1-4H3 |
| InChIKey | VJSHUTNPFFCVST-UHFFFAOYSA-N |
| Molecular Weight | 354.309 g/mol |
| SMILES | C(CCCC(OC(C(F)(F)C(F)(F)C(F)(F)F)=O)(CC)C)(C)C |