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(1R,2S,5R)-2-((4-(benzo[d][1,3]dioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)-6,8-dioxabicyclo[3.2.1]octan-4-one
SpectraBase Compound ID DBr885DzB1t
InChI InChI=1S/C18H13F3N2O5S/c19-18(20,21)15-4-9(8-1-2-11-12(3-8)27-7-26-11)22-17(23-15)29-14-5-10(24)16-25-6-13(14)28-16/h1-4,13-14,16H,5-7H2/t13-,14+,16-/m1/s1
InChIKey LDZURKXERCVMTD-IJEWVQPXSA-N
Mol Weight 426.37 g/mol
Molecular Formula C18H13F3N2O5S
Exact Mass 426.049727 g/mol
Enantiomer InChIKey LDZURKXERCVMTD-LZWOXQAQSA-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-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-6,8-dioxabicyclo[3.2.1]octan-4-one
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