| SpectraBase Compound ID | Abach05O131 |
|---|---|
| InChI | InChI=1S/C18H31F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(22)18(19,20)21/h5-6H,2-4,7-16H2,1H3/b6-5- |
| InChIKey | CMVYUUYNWUMURT-WAYWQWQTSA-N |
| Mol Weight | 320.44 g/mol |
| Molecular Formula | C18H31F3O |
| Exact Mass | 320.2327 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B2wTpTRM5tO |
|---|---|
| Name | (Z)-1,1,1-Trifluoro-13-octadecen-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.232700106 u |
| Formula | C18H31F3O |
| InChI | InChI=1S/C18H31F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(22)18(19,20)21/h5-6H,2-4,7-16H2,1H3/b6-5- |
| InChIKey | CMVYUUYNWUMURT-WAYWQWQTSA-N |
| Molecular Weight | 320.440 g/mol |
| SMILES | C(C(=O)CCCCCCCCCC\C=C/CCCC)(F)(F)F |