| SpectraBase Spectrum ID |
106Gv9Ehou |
| Name |
1'R,2S,5S,6R-5-(1'-Nitromethylpentyl)-2-(t-butyl)-6-(trifluoromethyl)-1,3-dioxan-4-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H24F3NO5 |
| InChI |
InChI=1S/C15H24F3NO5/c1-5-6-7-9(8-19(21)22)10-11(15(16,17)18)23-13(14(2,3)4)24-12(10)20/h9-11,13H,5-8H2,1-4H3/t9-,10-,11+,13-/m0/s1 |
| InChIKey |
GSIUEDZQSBMUPN-KQXIARHKSA-N |
| Molecular Weight |
355.354 g/mol |
| SMILES |
C1([C@]([C@](C(F)(F)F)(O[C@@](O1)(C(C)(C)C)[H])[H])([C@](CN(=O)=O)(CCCC)[H])[H])=O |
| SPLASH |
splash10-0pb9-9050000000-4f578ce174a96dcf40ac |
| Source of Spectrum |
K-127-573-12 |
| Synonyms |
(2S,5S,6R)-2-tert-butyl-5-[(1R)-1-(nitromethyl)pentyl]-6-(trifluoromethyl)-1,3-dioxan-4-one |
| Wiley ID |
1345128 |
