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

SpectraBase Compound ID	9pkfxEe1rbv
InChI	InChI=1S/C17H12F4N2O3S/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	PBCOBQHRAKETTK-UHFFFAOYSA-N Google Search
Mol Weight	400.35 g/mol
Molecular Formula	C17H12F4N2O3S
Exact Mass	400.050476 g/mol

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SpectraBase Spectrum ID	DmA5W7Q2bdb
Name	2-[[4-(4-fluorophenyl)-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	C17H12F4N2O3S
InChI	InChI=1S/C17H12F4N2O3S/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	PBCOBQHRAKETTK-UHFFFAOYSA-N
Molecular Weight	400.348 g/mol
SMILES	c1(nc(C(F)(F)F)cc(n1)-c1ccc(cc1)F)S[C@@]1([C@@]2(O[C@](C(C1)=O)(OC2)[H])[H])[H]
SPLASH	splash10-006w-9211000000-2eefaf5af6616bfdb74e
Synonyms	2-[[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-6,8-dioxabicyclo[3.2.1]octan-4-one
Wiley ID	1463963