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3-BENZYL-2-[(E)-2-[5-(ETHOXYCARBONYL)-4-METHYL-FURO-[3,2-B]-PYRROL-2-YL]-VINYL]-1,3-BENZOTHIAZOLIUM-BROMIDE
SpectraBase Compound ID 1hVCfiptR71
InChI InChI=1S/C26H23N2O3S.BrH/c1-3-30-26(29)22-16-23-21(27(22)2)15-19(31-23)13-14-25-28(17-18-9-5-4-6-10-18)20-11-7-8-12-24(20)32-25;/h4-16H,3,17H2,1-2H3;1H/q+1;/p-1
InChIKey JIONHWGRXXYCFJ-UHFFFAOYSA-M
Mol Weight 523.45 g/mol
Molecular Formula C26H23BrN2O3S
Exact Mass 522.061277 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4WdNqFL688d
Name 3-BENZYL-2-[(E)-2-[5-(ETHOXYCARBONYL)-4-METHYL-FURO-[3,2-B]-PYRROL-2-YL]-VINYL]-1,3-BENZOTHIAZOLIUM-BROMIDE
Compound Number 8C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H23BrN2O3S
InChI InChI=1S/C26H23N2O3S.BrH/c1-3-30-26(29)22-16-23-21(27(22)2)15-19(31-23)13-14-25-28(17-18-9-5-4-6-10-18)20-11-7-8-12-24(20)32-25;/h4-16H,3,17H2,1-2H3;1H/q+1;/p-1
InChIKey JIONHWGRXXYCFJ-UHFFFAOYSA-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 523.444 g/mol
Solvent DMSO-D6
Source File Reference UWMS5912