| SpectraBase Compound ID | JzFkNZMchYH |
|---|---|
| InChI | InChI=1S/C13H19F3O/c1-10(2)6-4-7-11(3)8-5-9-12(17)13(14,15)16/h6,8H,4-5,7,9H2,1-3H3/b11-8+ |
| InChIKey | VCHIQJZLMXWVDR-DHZHZOJOSA-N |
| Mol Weight | 248.29 g/mol |
| Molecular Formula | C13H19F3O |
| Exact Mass | 248.1388 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gc3kFbvGvc |
|---|---|
| Name | 5,9-Undecadien-2-one, 1,1,1-trifluoro-6,10-dimethyl-, (E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.138799720 u |
| Formula | C13H19F3O |
| InChI | InChI=1S/C13H19F3O/c1-10(2)6-4-7-11(3)8-5-9-12(17)13(14,15)16/h6,8H,4-5,7,9H2,1-3H3/b11-8+ |
| InChIKey | VCHIQJZLMXWVDR-DHZHZOJOSA-N |
| Molecular Weight | 248.289 g/mol |
| SMILES | C(C(=O)CC\C=C\(CCC=C(C)C)C)(F)(F)F |