4-(4-methoxyphenyl)-2-({4-methyl-6,8-dioxabicyclo[3.2.1]octan-2-yl}sulfanyl)-6-(trifluoromethyl)pyrimidine

SpectraBase Compound ID	2TpaXflf8j5
InChI	InChI=1S/C18H17F3N2O4S/c1-25-10-4-2-9(3-5-10)11-6-15(18(19,20)21)23-17(22-11)28-14-7-12(24)16-26-8-13(14)27-16/h2-6,12-14,16,24H,7-8H2,1H3/t12-,13-,14+,16-/m1/s1
InChIKey	VTGVURHSGJTLAM-HGTKMLMNSA-N Google Search
Mol Weight	414.4 g/mol
Molecular Formula	C18H17F3N2O4S
Exact Mass	414.086113 g/mol

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SpectraBase Spectrum ID	HAfWIYPYOcp
Name	2-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-6,8-dioxabicyclo[3.2.1]octan-4-ol
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C18H17F3N2O4S
InChI	InChI=1S/C18H17F3N2O4S/c1-25-10-4-2-9(3-5-10)11-6-15(18(19,20)21)23-17(22-11)28-14-7-12(24)16-26-8-13(14)27-16/h2-6,12-14,16,24H,7-8H2,1H3/t12-,13-,14+,16-/m1/s1
InChIKey	VTGVURHSGJTLAM-HGTKMLMNSA-N
Molecular Weight	414.399 g/mol
SMILES	O[C@]1([C@]2(O[C@@]([C@@](Sc3nc(C(F)(F)F)cc(n3)-c3ccc(cc3)OC)(C1)[H])(CO2)[H])[H])[H]
SPLASH	splash10-01pc-9342000000-d36d4d99ae3563fe34ac
Synonyms	2-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-6,8-dioxabicyclo[3.2.1]octan-4-ol
Wiley ID	1464917