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

SpectraBase Compound ID	Amq98h5VMzs
InChI	InChI=1S/C17H13F3N2O3S/c18-17(19,20)14-6-10(9-4-2-1-3-5-9)21-16(22-14)26-13-7-11(23)15-24-8-12(13)25-15/h1-6,12-13,15H,7-8H2/t12-,13+,15-/m1/s1
InChIKey	ZNCVJVSZYYDJDN-UHFFFAOYSA-N Google Search
Mol Weight	382.36 g/mol
Molecular Formula	C17H13F3N2O3S
Exact Mass	382.059898 g/mol

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SpectraBase Spectrum ID	9JbCbrM54Sf
Name	2-[[4-phenyl-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	C17H13F3N2O3S
InChI	InChI=1S/C17H13F3N2O3S/c18-17(19,20)14-6-10(9-4-2-1-3-5-9)21-16(22-14)26-13-7-11(23)15-24-8-12(13)25-15/h1-6,12-13,15H,7-8H2/t12-,13+,15-/m1/s1
InChIKey	ZNCVJVSZYYDJDN-UHFFFAOYSA-N
Molecular Weight	382.357 g/mol
SMILES	c1(nc(C(F)(F)F)cc(n1)-c1ccccc1)S[C@@]1([C@@]2(O[C@](C(C1)=O)(OC2)[H])[H])[H]
SPLASH	splash10-0a4i-2294000000-aaac4fef02477c612b5a
Synonyms	2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]-6,8-dioxabicyclo[3.2.1]octan-4-one
Wiley ID	1452991