| SpectraBase Spectrum ID |
BF95PavkKsa |
| Name |
1'S,2S,5S,6R-5-(2'-Nitro-1'-phenylethyl)-2-(t-butyl)-6-(trifluoromethyl)-1,3-dioxan-4-one |
| Alternate Name(s) |
(2S,5S,6R)-2-tert-butyl-5-[(1S)-2-nitro-1-phenylethyl]-6-(trifluoromethyl)-1,3-dioxan-4-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H20F3NO5 |
| InChI |
InChI=1S/C17H20F3NO5/c1-16(2,3)15-25-13(17(18,19)20)12(14(22)26-15)11(9-21(23)24)10-7-5-4-6-8-10/h4-8,11-13,15H,9H2,1-3H3/t11-,12+,13-,15+/m1/s1 |
| InChIKey |
RFGIKBZWFCURSW-COMQUAJESA-N |
| Molecular Weight |
375.344 g/mol |
| SMILES |
[C@@]1(C(O[C@](O[C@]1(C(F)(F)F)[H])(C(C)(C)C)[H])=O)([C@](CN(=O)=O)(c1ccccc1)[H])[H] |
| SPLASH |
splash10-0fbd-2930000000-488c4e487081584b9acb |
| Source of Spectrum |
K-127-573-13 |
| Wiley ID |
1357107 |
