| SpectraBase Compound ID | JdIIII0NzBK |
|---|---|
| InChI | InChI=1S/C17H21F3O3/c1-10-13(14(21)23-15(22-10)16(2,3)4)9-11-5-7-12(8-6-11)17(18,19)20/h5-8,10,13,15H,9H2,1-4H3/t10-,13+,15-/m1/s1 |
| InChIKey | MQWOMYYPAXEGBC-RIEGTJTDSA-N |
| Mol Weight | 330.35 g/mol |
| Molecular Formula | C17H21F3O3 |
| Exact Mass | 330.144279 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KFUomI5gKf8 |
|---|---|
| Name | (2R,5S,6R)-2-TERT.-BUTYL-6-METHYL-5-(1'-PARA-TRIFLUOROMETHYLBENZYL)-1,3-DIOXAN-4-ONE |
| CAS Registry Number | 129287-77-0 |
| Compound Number | 42 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C17H21F3O3 |
| InChI | InChI=1S/C17H21F3O3/c1-10-13(14(21)23-15(22-10)16(2,3)4)9-11-5-7-12(8-6-11)17(18,19)20/h5-8,10,13,15H,9H2,1-4H3/t10-,13+,15-/m1/s1 |
| InChIKey | MQWOMYYPAXEGBC-RIEGTJTDSA-N |
| Literature Reference Author | W.AMBERG,D.SEEBACH |
| Literature Reference Citation | CHEM.BER.,123,2413(1990) |
| Literature Reference DOI | 10.1002/cber.19901231225 |
| Molecular Weight | 330.347 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED12711 |