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4-[6-ANTHRACEN-9-YL-4-(1H-INDOL-3-YL)-PYRIDAZIN-3-YLAMINO]-BENZENESULFONIC-ACID
SpectraBase Compound ID C7ZCTnptBpu
InChI InChI=1S/C32H22N4O3S/c37-40(38,39)23-15-13-22(14-16-23)34-32-27(28-19-33-29-12-6-5-11-26(28)29)18-30(35-36-32)31-24-9-3-1-7-20(24)17-21-8-2-4-10-25(21)31/h1-19,33H,(H,34,36)(H,37,38,39)
InChIKey HTQPOBLIATXRLA-UHFFFAOYSA-N
Mol Weight 542.6 g/mol
Molecular Formula C32H22N4O3S
Exact Mass 542.141262 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7MmpXsOc9Rj
Name 4-[6-ANTHRACEN-9-YL-4-(1H-INDOL-3-YL)-PYRIDAZIN-3-YLAMINO]-BENZENESULFONIC-ACID
Compound Number 6D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H22N4O3S
InChI InChI=1S/C32H22N4O3S/c37-40(38,39)23-15-13-22(14-16-23)34-32-27(28-19-33-29-12-6-5-11-26(28)29)18-30(35-36-32)31-24-9-3-1-7-20(24)17-21-8-2-4-10-25(21)31/h1-19,33H,(H,34,36)(H,37,38,39)
InChIKey HTQPOBLIATXRLA-UHFFFAOYSA-N
Literature Reference Author S.A.ABUBSHAIT
Literature Reference Citation MOLECULES,12,25(2007)
Literature Reference DOI 10.3390/12010025
Molecular Weight 542.612 g/mol
Sample ID 46316
Solvent DMSO-D6