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3-[(3-TRIFLUOROMETHYL)-PHENYL]-AMINOMETHYL-5-(2-THIENYL)-1,3,4-OXADIAZOLINE-2-THIONE

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3-[(3-TRIFLUOROMETHYL)-PHENYL]-AMINOMETHYL-5-(2-THIENYL)-1,3,4-OXADIAZOLINE-2-THIONE
SpectraBase Compound ID LIWbbbM4ldl
InChI InChI=1S/2C14H10F3N3OS2/c2*15-14(16,17)9-3-1-4-10(7-9)18-8-20-13(22)21-12(19-20)11-5-2-6-23-11/h2*1-7,18H,8H2
InChIKey KTXJHRIBGYBIGU-UHFFFAOYSA-N
Mol Weight 714.74 g/mol
Molecular Formula C28H20F6N6O2S4
Exact Mass 714.043478 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BYiVb6IZL7g
Name 3-[(3-TRIFLUOROMETHYL)-PHENYL]-AMINOMETHYL-5-(2-THIENYL)-1,3,4-OXADIAZOLINE-2-THIONE
Compound Number 7E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H20F6N6O2S4
InChI InChI=1S/2C14H10F3N3OS2/c2*15-14(16,17)9-3-1-4-10(7-9)18-8-20-13(22)21-12(19-20)11-5-2-6-23-11/h2*1-7,18H,8H2
InChIKey KTXJHRIBGYBIGU-UHFFFAOYSA-N
Literature Reference Author M.A.AL-OMAR
Literature Reference Citation MOLECULES,15,502(2010)
Literature Reference DOI 10.3390/molecules15010502
Molecular Weight 714.736 g/mol
Sample ID 69186
Solvent Unknown