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2-[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-6,8-dioxabicyclo[3.2.1]octan-4-one
SpectraBase Compound ID B5Ae89Q987R
InChI InChI=1S/C15H11F3N2O4S/c16-15(17,18)12-4-7(9-2-1-3-22-9)19-14(20-12)25-11-5-8(21)13-23-6-10(11)24-13/h1-4,10-11,13H,5-6H2/t10-,11?,13-/m0/s1
InChIKey NTOFWZUELGTYOL-BJEKPXQXSA-N
Mol Weight 372.32 g/mol
Molecular Formula C15H11F3N2O4S
Exact Mass 372.039163 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ZDBaWPEOoN
Name 2-[4-(2-furyl)-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 C15H11F3N2O4S
InChI InChI=1S/C15H11F3N2O4S/c16-15(17,18)12-4-7(9-2-1-3-22-9)19-14(20-12)25-11-5-8(21)13-23-6-10(11)24-13/h1-4,10-11,13H,5-6H2/t10-,11?,13-/m0/s1
InChIKey NTOFWZUELGTYOL-BJEKPXQXSA-N
Molecular Weight 372.318 g/mol
SMILES c1(nc(C(F)(F)F)cc(n1)-c1occc1)SC1[C@]2(O[C@@](C(C1)=O)(OC2)[H])[H]
SPLASH splash10-000g-9110000000-b031603c95138c9b9a7b
Synonyms 2-[[4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-6,8-dioxabicyclo[3.2.1]octan-4-one 2-[[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-6,8-dioxabicyclo[3.2.1]octan-4-one
Wiley ID 1453197