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2-amino-5-[[4-[(4-amino-3-sulfo-phenyl)amino]-2,5-dichloro-3,6-diketo-1-cyclohexa-1,4-dienyl]amino]benzenesulfonic acid

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2-amino-5-[[4-[(4-amino-3-sulfo-phenyl)amino]-2,5-dichloro-3,6-diketo-1-cyclohexa-1,4-dienyl]amino]benzenesulfonic acid
SpectraBase Compound ID 3a22iC9H23O
InChI InChI=1S/C18H14Cl2N4O8S2/c19-13-15(23-7-1-3-9(21)11(5-7)33(27,28)29)17(25)14(20)16(18(13)26)24-8-2-4-10(22)12(6-8)34(30,31)32/h1-6,23-24H,21-22H2,(H,27,28,29)(H,30,31,32)
InChIKey CLQJOQKSLHAHHF-UHFFFAOYSA-N
Mol Weight 549.36 g/mol
Molecular Formula C18H14Cl2N4O8S2
Exact Mass 547.963011 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FL2gD2Kfq4S
Name 2-amino-5-[[4-[(4-amino-3-sulfo-phenyl)amino]-2,5-dichloro-3,6-diketo-1-cyclohexa-1,4-dienyl]amino]benzenesulfonic acid
Compound Number 1173
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H14Cl2N4O8S2
InChI InChI=1S/C18H14Cl2N4O8S2/c19-13-15(23-7-1-3-9(21)11(5-7)33(27,28)29)17(25)14(20)16(18(13)26)24-8-2-4-10(22)12(6-8)34(30,31)32/h1-6,23-24H,21-22H2,(H,27,28,29)(H,30,31,32)
InChIKey CLQJOQKSLHAHHF-UHFFFAOYSA-N
Literature Reference Author W.ROBIEN
Literature Reference Citation W.ROBIEN,PRIVATE_COMMUNICATION
Molecular Weight 549.357 g/mol
Sample ID 508
Solvent DMSO-D6