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

SpectraBase Compound ID	EsLEwOQFdmr
InChI	InChI=1S/C17H12ClF3N2O3S/c18-9-3-1-8(2-4-9)10-5-14(17(19,20)21)23-16(22-10)27-13-6-11(24)15-25-7-12(13)26-15/h1-5,12-13,15H,6-7H2/t12-,13+,15-/m1/s1
InChIKey	GECMXBUUGKBKNQ-VNHYZAJKSA-N Google Search
Mol Weight	416.8 g/mol
Molecular Formula	C17H12ClF3N2O3S
Exact Mass	416.020926 g/mol

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SpectraBase Spectrum ID	9SckEHAhlom
Name	2-[[4-(4-chlorophenyl)-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	C17H12ClF3N2O3S
InChI	InChI=1S/C17H12ClF3N2O3S/c18-9-3-1-8(2-4-9)10-5-14(17(19,20)21)23-16(22-10)27-13-6-11(24)15-25-7-12(13)26-15/h1-5,12-13,15H,6-7H2/t12-,13+,15-/m1/s1
InChIKey	GECMXBUUGKBKNQ-VNHYZAJKSA-N
Molecular Weight	416.802 g/mol
SMILES	c1(nc(C(F)(F)F)cc(n1)-c1ccc(cc1)Cl)S[C@@]1([C@@]2(O[C@](C(C1)=O)(OC2)[H])[H])[H]
SPLASH	splash10-000g-9210000000-df111e11ae3347c7a6a9
Synonyms	2-[[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-6,8-dioxabicyclo[3.2.1]octan-4-one
Wiley ID	1463962