| SpectraBase Compound ID | LOlcfripEMQ |
|---|---|
| InChI | InChI=1S/C17H31F3O2/c1-3-5-6-7-8-9-10-11-12-13-14-15(4-2)22-16(21)17(18,19)20/h15H,3-14H2,1-2H3 |
| InChIKey | JMMFJOSHQBBMTP-UHFFFAOYSA-N |
| Mol Weight | 324.43 g/mol |
| Molecular Formula | C17H31F3O2 |
| Exact Mass | 324.227615 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LcHYsuUaKKW |
|---|---|
| Name | 3-Trifluoroacetoxypentadecane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.227614725 u |
| Formula | C17H31F3O2 |
| InChI | InChI=1S/C17H31F3O2/c1-3-5-6-7-8-9-10-11-12-13-14-15(4-2)22-16(21)17(18,19)20/h15H,3-14H2,1-2H3 |
| InChIKey | JMMFJOSHQBBMTP-UHFFFAOYSA-N |
| Molecular Weight | 324.428 g/mol |
| SMILES | C(C(CCCCCCCCCCCC)OC(C(F)(F)F)=O)C |