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6-CHLORO-2-HYDROXY-2-TRIFLUOROMETHYL-2H-CHROMENE-3-CARBOXYLIC-ACID-5-(ALLYLSULFANYL-[1,3,4]-THIADIAZOL-2-YL)-AMIDE
SpectraBase Compound ID F9VltNXn7sP
InChI InChI=1S/C16H11ClF3N3O3S2/c1-2-5-27-14-23-22-13(28-14)21-12(24)10-7-8-6-9(17)3-4-11(8)26-15(10,25)16(18,19)20/h2-4,6-7,25H,1,5H2,(H,21,22,24)
InChIKey AVLPYJIJYDUTOO-UHFFFAOYSA-N
Mol Weight 449.85 g/mol
Molecular Formula C16H11ClF3N3O3S2
Exact Mass 448.988246 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AdJAurzPLgU
Name 6-CHLORO-2-HYDROXY-2-TRIFLUOROMETHYL-2H-CHROMENE-3-CARBOXYLIC-ACID-5-(ALLYLSULFANYL-[1,3,4]-THIADIAZOL-2-YL)-AMIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H11ClF3N3O3S2
InChI InChI=1S/C16H11ClF3N3O3S2/c1-2-5-27-14-23-22-13(28-14)21-12(24)10-7-8-6-9(17)3-4-11(8)26-15(10,25)16(18,19)20/h2-4,6-7,25H,1,5H2,(H,21,22,24)
InChIKey AVLPYJIJYDUTOO-UHFFFAOYSA-N
Literature Reference Author C.WANG,C.XU,G.YANG,S.FAN,L.XIN,T.GUO
Literature Reference Citation MOLBANK,M830(2014)
Solvent CDCl3
Source File Reference UWLU83022