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2-[3-[3,3-DIMETHYL-1-(2-SULFOETHYL)-INDOLIN-2-YLIDENE]-PROP-1-ENYL]-3,3-DIMETHYL-1-(2-SULFOETHYL)-3H-INDOLIUM-SALT
SpectraBase Compound ID 5EBTC1BrlxV
InChI InChI=1S/C27H32N2O6S2/c1-26(2)20-10-5-7-12-22(20)28(16-18-36(30,31)32)24(26)14-9-15-25-27(3,4)21-11-6-8-13-23(21)29(25)17-19-37(33,34)35/h5-15H,16-19H2,1-4H3,(H-,30,31,32,33,34,35)
InChIKey UJULCNINJWMJPL-UHFFFAOYSA-N
Mol Weight 544.7 g/mol
Molecular Formula C27H32N2O6S2
Exact Mass 544.170179 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DmtKnfkPhXf
Name 2-[3-[3,3-DIMETHYL-1-(2-SULFOETHYL)-INDOLIN-2-YLIDENE]-PROP-1-ENYL]-3,3-DIMETHYL-1-(2-SULFOETHYL)-3H-INDOLIUM-SALT
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H32N2O6S2
InChI InChI=1S/C27H32N2O6S2/c1-26(2)20-10-5-7-12-22(20)28(16-18-36(30,31)32)24(26)14-9-15-25-27(3,4)21-11-6-8-13-23(21)29(25)17-19-37(33,34)35/h5-15H,16-19H2,1-4H3,(H-,30,31,32,33,34,35)
InChIKey UJULCNINJWMJPL-UHFFFAOYSA-N
Literature Reference Author R.M.EL-SHISHTAWY,A.S.OLIVEIRA,P.ALMEIDA,D.P.FERREIRA,D.S.CON CEICAO,L.F.V.FERREIR
Literature Reference Citation MOLECULES,18,5648(2013)
Literature Reference DOI 10.3390/molecules18055648
Molecular Weight 544.681 g/mol
Solvent DMSO-D6
Source File Reference UWBT9345