For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(1R,2S,5R)-2-((4-(3,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)-6,8-dioxabicyclo[3.2.1]octan-4-one
SpectraBase Compound ID CuSxfzAoT0d
InChI InChI=1S/C17H11Cl2F3N2O3S/c18-8-2-1-7(3-9(8)19)10-4-14(17(20,21)22)24-16(23-10)28-13-5-11(25)15-26-6-12(13)27-15/h1-4,12-13,15H,5-6H2/t12-,13+,15-/m1/s1
InChIKey LBHWBALXVNKFPV-VNHYZAJKSA-N
Mol Weight 451.25 g/mol
Molecular Formula C17H11Cl2F3N2O3S
Exact Mass 449.981953 g/mol
Enantiomer InChIKey LBHWBALXVNKFPV-GUTXKFCHSA-N
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent DMSO-d6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
  • 2-[[4-(3,4-dichlorophenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-6,8-dioxabicyclo[3.2.1]octan-4-one
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.