(1R,2S,5R)-2-((4-(benzo[d][1,3]dioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)-6,8-dioxabicyclo[3.2.1]octan-4-one

SpectraBase Compound ID	DBr885DzB1t
InChI	InChI=1S/C18H13F3N2O5S/c19-18(20,21)15-4-9(8-1-2-11-12(3-8)27-7-26-11)22-17(23-15)29-14-5-10(24)16-25-6-13(14)28-16/h1-4,13-14,16H,5-7H2/t13-,14+,16-/m1/s1
InChIKey	LDZURKXERCVMTD-IJEWVQPXSA-N Google Search
Mol Weight	426.37 g/mol
Molecular Formula	C18H13F3N2O5S
Exact Mass	426.049727 g/mol

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SpectraBase Spectrum ID	HYDO6P1QBsA
Name	2-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-6,8-dioxabicyclo[3.2.1]octan-4-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C18H13F3N2O5S
InChI	InChI=1S/C18H13F3N2O5S/c19-18(20,21)15-4-9(8-1-2-11-12(3-8)27-7-26-11)22-17(23-15)29-14-5-10(24)16-25-6-13(14)28-16/h1-4,13-14,16H,5-7H2/t13-,14+,16-/m1/s1
InChIKey	LDZURKXERCVMTD-IJEWVQPXSA-N
Molecular Weight	426.366 g/mol
SMILES	c1(nc(C(F)(F)F)cc(n1)-c1cc2OCOc2cc1)S[C@@]1([C@@]2(O[C@](C(C1)=O)(OC2)[H])[H])[H]
SPLASH	splash10-0005-9111000000-ffb4af574fe880d2ba37
Synonyms	2-[[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-6,8-dioxabicyclo[3.2.1]octan-4-one 2-[[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-6,8-dioxabicyclo[3.2.1]octan-4-one
Wiley ID	1463965