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3-BENZYL-2-[(E)-2-[5-(METHOXYCARBONYL)-4H-FURO-[3,2-B]-PYRROL-2-YL]-VINYL]-1,3-BENZOTHIAZOLIUM-BROMIDE
SpectraBase Compound ID Kuxle78LJao
InChI InChI=1S/C24H18N2O3S.BrH/c1-28-24(27)19-14-21-18(25-19)13-17(29-21)11-12-23-26(15-16-7-3-2-4-8-16)20-9-5-6-10-22(20)30-23;/h2-14H,15H2,1H3;1H
InChIKey UOGYPQRSOODSLU-UHFFFAOYSA-N
Mol Weight 495.39 g/mol
Molecular Formula C24H19BrN2O3S
Exact Mass 494.029977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7HcPA27qwe4
Name 3-BENZYL-2-[(E)-2-[5-(METHOXYCARBONYL)-4H-FURO-[3,2-B]-PYRROL-2-YL]-VINYL]-1,3-BENZOTHIAZOLIUM-BROMIDE
Compound Number 8B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H19BrN2O3S
InChI InChI=1S/C24H18N2O3S.BrH/c1-28-24(27)19-14-21-18(25-19)13-17(29-21)11-12-23-26(15-16-7-3-2-4-8-16)20-9-5-6-10-22(20)30-23;/h2-14H,15H2,1H3;1H
InChIKey UOGYPQRSOODSLU-UHFFFAOYSA-N
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 495.390 g/mol
Solvent DMSO-D6
Source File Reference UWMS5911