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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

Compound with spectra: 1 NMR, and 1 MS (GC)

(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

View Spectrum of (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

1H NMR Spectrum
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

View Spectrum of (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

MS (GC) Spectrum
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
(1R,2S,5R)-2-((4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)-6,8-dioxabicyclo[3.2.1]octan-4-one
(NZ)-N-[2-[4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-6,8-dioxabicyclo[3.2.1]octan-4-ylidene]hydroxylamine
2-(6-tert-butyl-4-trifluoromethyl-5,6,7,8-tetrahydro-quinazolin-2-ylsulfanyl)-6,8-dioxa-bicyclo[3.2.1]octan-4-one
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-methyl-2-oxopropyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile
6-(3,4-dimethoxyphenyl)-2-[(1-methyl-2-oxopropyl)sulfanyl]-4-(trifluoromethyl)nicotinonitrile
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
pyrazolo[1,5-a]pyrimidine-7-carboxylic acid, 5-(1,3-benzodioxol-5-yl)-
acetamide, 2-[[4-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-1H-imidazol-2-yl]thio]-N-(3-fluorophenyl)-
acetamide, 2-[[4-(1,3-benzodioxol-5-yl)-1-phenyl-1H-imidazol-2-yl]thio]-N-(5-chloro-2-methoxyphenyl)-
2-(1,3-benzodioxol-5-yl)-N-butyl-4-quinolinecarboxamide
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