| SpectraBase Compound ID | LZB22cYUjFt |
|---|---|
| InChI | InChI=1S/C18H29F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(22)18(19,20)21/h2-4,7-16H2,1H3 |
| InChIKey | YPJGGCNDJHPIQQ-UHFFFAOYSA-N |
| Mol Weight | 318.42 g/mol |
| Molecular Formula | C18H29F3O |
| Exact Mass | 318.21705 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7gwkzQbmEeA |
|---|---|
| Name | 1,1,1-Trifluoro-13-octadecyn-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.217050042 u |
| Formula | C18H29F3O |
| InChI | InChI=1S/C18H29F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(22)18(19,20)21/h2-4,7-16H2,1H3 |
| InChIKey | YPJGGCNDJHPIQQ-UHFFFAOYSA-N |
| Molecular Weight | 318.424 g/mol |
| SMILES | C(C(=O)CCCCCCCCCCC#CCCCC)(F)(F)F |