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

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(1R,2S,5R)-2-((4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)-6,8-dioxabicyclo[3.2.1]octan-4-one
SpectraBase Compound ID F216YS1i17j
InChI InChI=1S/C18H15F3N2O4S/c1-25-12-5-3-2-4-9(12)10-6-15(18(19,20)21)23-17(22-10)28-14-7-11(24)16-26-8-13(14)27-16/h2-6,13-14,16H,7-8H2,1H3/t13-,14+,16-/m1/s1
InChIKey PZMORQKSAZIXSI-IJEWVQPXSA-N
Mol Weight 412.38 g/mol
Molecular Formula C18H15F3N2O4S
Exact Mass 412.070463 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EGdyDXQw4aR
Name 2-[[4-(2-methoxyphenyl)-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 C18H15F3N2O4S
InChI InChI=1S/C18H15F3N2O4S/c1-25-12-5-3-2-4-9(12)10-6-15(18(19,20)21)23-17(22-10)28-14-7-11(24)16-26-8-13(14)27-16/h2-6,13-14,16H,7-8H2,1H3/t13-,14+,16-/m1/s1
InChIKey PZMORQKSAZIXSI-IJEWVQPXSA-N
Molecular Weight 412.383 g/mol
SMILES c1(nc(-c2c(OC)cccc2)cc(C(F)(F)F)n1)S[C@@]1([C@@]2(O[C@](C(C1)=O)(OC2)[H])[H])[H]
SPLASH splash10-000g-9221000000-3f38b98eaba970c25749
Synonyms 2-[[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-6,8-dioxabicyclo[3.2.1]octan-4-one
Wiley ID 1453521