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(1R,2S,5R)-2-((4-(3,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)-6,8-dioxabicyclo[3.2.1]octan-4-one

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(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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J1Bc8hskrJl
Name 2-[[4-(3,4-dichlorophenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-6,8-dioxabicyclo[3.2.1]octan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H11Cl2F3N2O3S
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
Molecular Weight 451.247 g/mol
SMILES c1(nc(C(F)(F)F)cc(n1)-c1cc(Cl)c(cc1)Cl)S[C@@]1([C@@]2(O[C@](C(C1)=O)(OC2)[H])[H])[H]
SPLASH splash10-0005-9101000000-96432d4483a55175591b
Synonyms 2-[[4-(3,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-6,8-dioxabicyclo[3.2.1]octan-4-one
Wiley ID 1463966