| SpectraBase Compound ID | CEjE9fGgJVN |
|---|---|
| InChI | InChI=1S/C12H17F3O/c13-12(14,15)6-16-11-9-2-7-1-8(4-9)5-10(11)3-7/h7-11H,1-6H2/t7-,8?,9-,10?,11?/m1/s1 |
| InChIKey | ZRSWGQRSAZRLLO-RJSQJPJBSA-N |
| Mol Weight | 234.26 g/mol |
| Molecular Formula | C12H17F3O |
| Exact Mass | 234.12315 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1OW8pjAvVZR |
|---|---|
| Name | 2-Adamantyl trifluoroethyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.123149655 u |
| Formula | C12H17F3O |
| InChI | InChI=1S/C12H17F3O/c13-12(14,15)6-16-11-9-2-7-1-8(4-9)5-10(11)3-7/h7-11H,1-6H2/t7-,8?,9-,10?,11?/m1/s1 |
| InChIKey | ZRSWGQRSAZRLLO-RJSQJPJBSA-N |
| Molecular Weight | 234.262 g/mol |
| SMILES | [C@]12(C(C3CC(C2)C[C@](C1)(C3)[H])OCC(F)(F)F)[H] |