| SpectraBase Compound ID | 2t6uzo65BCb |
|---|---|
| InChI | InChI=1S/C19H27F3O2/c1-2-3-4-5-6-7-9-16-11-13-17(14-12-16)24-15-8-10-18(23)19(20,21)22/h11-14H,2-10,15H2,1H3 |
| InChIKey | UMRJNULJIAZHAL-UHFFFAOYSA-N |
| Mol Weight | 344.42 g/mol |
| Molecular Formula | C19H27F3O2 |
| Exact Mass | 344.196315 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AiG1G9PWgrl |
|---|---|
| Name | 1,1,1-Trifluoro-5-(4-octylphenoxy)-pentan-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.196314596 u |
| Formula | C19H27F3O2 |
| InChI | InChI=1S/C19H27F3O2/c1-2-3-4-5-6-7-9-16-11-13-17(14-12-16)24-15-8-10-18(23)19(20,21)22/h11-14H,2-10,15H2,1H3 |
| InChIKey | UMRJNULJIAZHAL-UHFFFAOYSA-N |
| Molecular Weight | 344.418 g/mol |
| SMILES | C=1(OCCCC(=O)C(F)(F)F)C=CC(CCCCCCCC)=CC1 |