| SpectraBase Compound ID | KFFgxp8aaLF |
|---|---|
| InChI | InChI=1S/C16H21F3O2/c1-14(2,3)10-7-8-12(11(9-10)15(4,5)6)21-13(20)16(17,18)19/h7-9H,1-6H3 |
| InChIKey | DSZCNAZPTFTWOR-UHFFFAOYSA-N |
| Mol Weight | 302.34 g/mol |
| Molecular Formula | C16H21F3O2 |
| Exact Mass | 302.149364 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9owAvZkIGSQ |
|---|---|
| Name | 2,4-di-Tert-butylphenol, trifluoroacetate ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.149364403 u |
| Formula | C16H21F3O2 |
| InChI | InChI=1S/C16H21F3O2/c1-14(2,3)10-7-8-12(11(9-10)15(4,5)6)21-13(20)16(17,18)19/h7-9H,1-6H3 |
| InChIKey | DSZCNAZPTFTWOR-UHFFFAOYSA-N |
| Molecular Weight | 302.337 g/mol |
| SMILES | C1(=CC(=CC=C1OC(C(F)(F)F)=O)C(C)(C)C)C(C)(C)C |