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SODIUM_1-AMINO-4-(4-HYDROXYPHENYLAMINO)-9,10-DIOXO-9,10-DIHYDROANTHRACENE-2-SULFONATE
SpectraBase Compound ID 8Yia7XeLxY9
InChI InChI=1S/C20H14N2O6S.Na/c21-18-15(29(26,27)28)9-14(22-10-5-7-11(23)8-6-10)16-17(18)20(25)13-4-2-1-3-12(13)19(16)24;/h1-9,22-23H,21H2,(H,26,27,28);/q;+1/p-1
InChIKey VLZVLXBAUVQEKH-UHFFFAOYSA-M
Mol Weight 432.38 g/mol
Molecular Formula C20H13N2NaO6S
Exact Mass 432.039202 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CuRHlQVT68R
Name SODIUM_1-AMINO-4-(4-HYDROXYPHENYLAMINO)-9,10-DIOXO-9,10-DIHYDROANTHRACENE-2-SULFONATE
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H13N2NaO6S
InChI InChI=1S/C20H14N2O6S.Na/c21-18-15(29(26,27)28)9-14(22-10-5-7-11(23)8-6-10)16-17(18)20(25)13-4-2-1-3-12(13)19(16)24;/h1-9,22-23H,21H2,(H,26,27,28);/q;+1/p-1
InChIKey VLZVLXBAUVQEKH-UHFFFAOYSA-M
Literature Reference Author Y.BAQI,S.Y.LEE,J.IQBAL,P.RIPPHAUSEN,A.LEHR,A.B.SCHEIFF,H.ZIM MERMANN,J.BAJORATH,C
Literature Reference Citation J.MED.CHEM.,53,2076(2010)
Literature Reference DOI 10.1021/jm901851t
Molecular Weight 432.383 g/mol
Solvent DMSO-D6
Source File Reference UWMZ46533