| SpectraBase Spectrum ID |
4bpwFjzR2RL |
| Name |
1'S,2S,5S,6R-5-(1'-Phenylethyl)-2-(t-butyl)-6-(trifluoromethyl)-1,3-dioxan-4-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H21F3O3 |
| InChI |
InChI=1S/C17H21F3O3/c1-10(11-8-6-5-7-9-11)12-13(17(18,19)20)22-15(16(2,3)4)23-14(12)21/h5-10,12-13,15H,1-4H3/t10-,12+,13-,15+/m1/s1 |
| InChIKey |
CXGFOIWPAMYBEF-ZRQNBYAXSA-N |
| Molecular Weight |
330.347 g/mol |
| SMILES |
C1([C@]([C@](C(F)(F)F)(O[C@@](O1)(C(C)(C)C)[H])[H])([C@@](c1ccccc1)(C)[H])[H])=O |
| SPLASH |
splash10-0a4i-4930000000-eab2fbcfb07ec666fe80 |
| Source of Spectrum |
K-127-573-11 |
| Synonyms |
(2S,5S,6R)-2-tert-butyl-5-[(1S)-1-phenylethyl]-6-(trifluoromethyl)-1,3-dioxan-4-one |
| Wiley ID |
1327712 |
