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3-BENZYL-2-[(E)-2-[5-[3-(TRIFLUOROMETHYL)-PHENYL]-FURAN-2-YL]-VINYL]-1,3-BENZOTHIAZOLIUM-BROMIDE
SpectraBase Compound ID DAIDXAS1pzf
InChI InChI=1S/C27H19F3NOS.BrH/c28-27(29,30)21-10-6-9-20(17-21)24-15-13-22(32-24)14-16-26-31(18-19-7-2-1-3-8-19)23-11-4-5-12-25(23)33-26;/h1-17H,18H2;1H/q+1;/p-1/b16-14+;
InChIKey YLBSHNYWPFENJZ-BACBYAOASA-M
Mol Weight 542.41 g/mol
Molecular Formula C27H19BrF3NOS
Exact Mass 541.032283 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 33vcr43eig3
Name 3-BENZYL-2-[(E)-2-[5-[3-(TRIFLUOROMETHYL)-PHENYL]-FURAN-2-YL]-VINYL]-1,3-BENZOTHIAZOLIUM-BROMIDE
Compound Number 7F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H19BrF3NOS
InChI InChI=1S/C27H19F3NOS.BrH/c28-27(29,30)21-10-6-9-20(17-21)24-15-13-22(32-24)14-16-26-31(18-19-7-2-1-3-8-19)23-11-4-5-12-25(23)33-26;/h1-17H,18H2;1H/q+1;/p-1/b16-14+;
InChIKey YLBSHNYWPFENJZ-BACBYAOASA-M
Literature Reference Author Z.PUTEROVA,A.KRUTOSIKOVA,A.LYCKA,T.DURCEKOVA
Literature Reference Citation MOLECULES,9,241(2004)
Literature Reference DOI 10.3390/90400241
Molecular Weight 542.413 g/mol
Solvent DMSO-D6
Source File Reference UWMS5907