| SpectraBase Compound ID | E0GjsJ3MS1U |
|---|---|
| InChI | InChI=1S/C18H17F3O2/c1-11-9-12(2)16(23-17(22)18(19,20)21)15(10-11)13(3)14-7-5-4-6-8-14/h4-10,13H,1-3H3 |
| InChIKey | SAMVHKSEVBNKNW-UHFFFAOYSA-N |
| Mol Weight | 322.33 g/mol |
| Molecular Formula | C18H17F3O2 |
| Exact Mass | 322.118064 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 66n1TyfC60F |
|---|---|
| Name | 2,4-Dimethyl-6-(1-phenylethyl)phenol, trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.118064274 u |
| Formula | C18H17F3O2 |
| InChI | InChI=1S/C18H17F3O2/c1-11-9-12(2)16(23-17(22)18(19,20)21)15(10-11)13(3)14-7-5-4-6-8-14/h4-10,13H,1-3H3 |
| InChIKey | SAMVHKSEVBNKNW-UHFFFAOYSA-N |
| Molecular Weight | 322.327 g/mol |
| SMILES | C1(OC(C(F)(F)F)=O)=C(C=C(C=C1C)C)C(C)C1=CC=CC=C1 |