| SpectraBase Compound ID | 7q3fmPiMegi |
|---|---|
| InChI | InChI=1S/C12H13F3O2/c1-2-3-4-9-5-7-10(8-6-9)17-11(16)12(13,14)15/h5-8H,2-4H2,1H3 |
| InChIKey | MICCSKIAAMHNEF-UHFFFAOYSA-N |
| Mol Weight | 246.23 g/mol |
| Molecular Formula | C12H13F3O2 |
| Exact Mass | 246.086764 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GYeRYZFHPsV |
|---|---|
| Name | 4-N-Butylphenol, trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.086764146 u |
| Formula | C12H13F3O2 |
| InChI | InChI=1S/C12H13F3O2/c1-2-3-4-9-5-7-10(8-6-9)17-11(16)12(13,14)15/h5-8H,2-4H2,1H3 |
| InChIKey | MICCSKIAAMHNEF-UHFFFAOYSA-N |
| Molecular Weight | 246.229 g/mol |
| SMILES | C1=CC(=CC=C1OC(C(F)(F)F)=O)CCCC |