| SpectraBase Compound ID | 2XyMKdQGVxc |
|---|---|
| InChI | InChI=1S/C16H25F7O2/c1-3-5-6-7-8-9-10-11-12(4-2)25-13(24)14(17,18)15(19,20)16(21,22)23/h12H,3-11H2,1-2H3 |
| InChIKey | YFPWSTCRHYMUMM-UHFFFAOYSA-N |
| Mol Weight | 382.36 g/mol |
| Molecular Formula | C16H25F7O2 |
| Exact Mass | 382.174277 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5G9TqBsC9B1 |
|---|---|
| Name | 3-Heptafluorobutyroxydodecane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.174277184 u |
| Formula | C16H25F7O2 |
| InChI | InChI=1S/C16H25F7O2/c1-3-5-6-7-8-9-10-11-12(4-2)25-13(24)14(17,18)15(19,20)16(21,22)23/h12H,3-11H2,1-2H3 |
| InChIKey | YFPWSTCRHYMUMM-UHFFFAOYSA-N |
| Molecular Weight | 382.363 g/mol |
| SMILES | C(C(CCCCCCCCC)OC(C(C(C(F)(F)F)(F)F)(F)F)=O)C |