4-(3,4-dimethoxyphenyl)-2-({4-methyl-6,8-dioxabicyclo[3.2.1]octan-2-yl}sulfanyl)-6-(trifluoromethyl)pyrimidine

SpectraBase Compound ID	8P76ipqRdHP
InChI	InChI=1S/C19H19F3N2O5S/c1-26-12-4-3-9(5-13(12)27-2)10-6-16(19(20,21)22)24-18(23-10)30-15-7-11(25)17-28-8-14(15)29-17/h3-6,11,14-15,17,25H,7-8H2,1-2H3/t11-,14+,15-,17+/m0/s1
InChIKey	KQENPVPYQNPGGH-MQVNZCODSA-N Google Search
Mol Weight	444.43 g/mol
Molecular Formula	C19H19F3N2O5S
Exact Mass	444.096677 g/mol

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SpectraBase Spectrum ID	2fJLJPD24og
Name	2-[[4-(3,4-dimethoxyphenyl)-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	C19H19F3N2O5S
InChI	InChI=1S/C19H19F3N2O5S/c1-26-12-4-3-9(5-13(12)27-2)10-6-16(19(20,21)22)24-18(23-10)30-15-7-11(25)17-28-8-14(15)29-17/h3-6,11,14-15,17,25H,7-8H2,1-2H3/t11-,14+,15-,17+/m0/s1
InChIKey	KQENPVPYQNPGGH-MQVNZCODSA-N
Molecular Weight	444.425 g/mol
SMILES	O[C@@]1([C@]2(O[C@@]([C@@](Sc3nc(C(F)(F)F)cc(n3)-c3cc(OC)c(cc3)OC)(C1)[H])(CO2)[H])[H])[H]
SPLASH	splash10-014l-3429000000-94e638fc767e6314bdaa
Synonyms	2-[[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-6,8-dioxabicyclo[3.2.1]octan-4-ol
Wiley ID	1465065