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2-[(E)-2-[5-(3-NITROPHENYL)-FURAN-2-YL]-VINYL]-3-ETHYL-1,3-BENZOTHIAZOLIUM-IODIDE
SpectraBase Compound ID JdFMXB7ko2e
InChI InChI=1S/C21H17N2O3S.HI/c1-2-22-18-8-3-4-9-20(18)27-21(22)13-11-17-10-12-19(26-17)15-6-5-7-16(14-15)23(24)25;/h3-14H,2H2,1H3;1H/q+1;/p-1/b13-11+;
InChIKey MXTBCGHWYZVPME-BNSHTTSQSA-M
Mol Weight 504.34 g/mol
Molecular Formula C21H17IN2O3S
Exact Mass 504.000459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lt8lPvIcTlR
Name 2-[(E)-2-[5-(3-NITROPHENYL)-FURAN-2-YL]-VINYL]-3-ETHYL-1,3-BENZOTHIAZOLIUM-IODIDE
Compound Number 6D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H17IN2O3S
InChI InChI=1S/C21H17N2O3S.HI/c1-2-22-18-8-3-4-9-20(18)27-21(22)13-11-17-10-12-19(26-17)15-6-5-7-16(14-15)23(24)25;/h3-14H,2H2,1H3;1H/q+1;/p-1/b13-11+;
InChIKey MXTBCGHWYZVPME-BNSHTTSQSA-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 504.342 g/mol
Solvent DMSO-D6
Source File Reference UWMS5897