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2-[[4-(4-methylphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-6,8-dioxabicyclo[3.2.1]octan-4-one

View entire compound with spectra: 1 MS (GC)

2-[[4-(4-methylphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-6,8-dioxabicyclo[3.2.1]octan-4-one
SpectraBase Compound ID B1d4TQf4hYj
InChI InChI=1S/C18H15F3N2O3S/c1-9-2-4-10(5-3-9)11-6-15(18(19,20)21)23-17(22-11)27-14-7-12(24)16-25-8-13(14)26-16/h2-6,13-14,16H,7-8H2,1H3/t13-,14+,16-/m1/s1
InChIKey VHSVBFVUAMIUAE-UHFFFAOYSA-N
Mol Weight 396.38 g/mol
Molecular Formula C18H15F3N2O3S
Exact Mass 396.075548 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1oZclJSU1dt
Name 2-[[4-(4-methylphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-6,8-dioxabicyclo[3.2.1]octan-4-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15F3N2O3S
InChI InChI=1S/C18H15F3N2O3S/c1-9-2-4-10(5-3-9)11-6-15(18(19,20)21)23-17(22-11)27-14-7-12(24)16-25-8-13(14)26-16/h2-6,13-14,16H,7-8H2,1H3/t13-,14+,16-/m1/s1
InChIKey VHSVBFVUAMIUAE-UHFFFAOYSA-N
Molecular Weight 396.384 g/mol
SMILES c1(nc(C(F)(F)F)cc(n1)-c1ccc(cc1)C)S[C@@]1([C@@]2(O[C@](C(C1)=O)(OC2)[H])[H])[H]
SPLASH splash10-006t-9321000000-1360f2ab01b11302031f
Synonyms 2-[[4-(p-tolyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-6,8-dioxabicyclo[3.2.1]octan-4-one 2-[4-(p-tolyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-6,8-dioxabicyclo[3.2.1]octan-4-one
Wiley ID 1464166