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ACID-RED-131;DISODIUM-(3Z)-3-[2-[2-(2-METHYLPHENOXY)-PHENYL-HYDRAZINYLIDENE]-4-OXO-5-[(PHENYLCARBONYL)-AMINO]-3,4-DIHYDRONAPHTHALENE-2,7-DISULFONATE

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ACID-RED-131;DISODIUM-(3Z)-3-[2-[2-(2-METHYLPHENOXY)-PHENYL-HYDRAZINYLIDENE]-4-OXO-5-[(PHENYLCARBONYL)-AMINO]-3,4-DIHYDRONAPHTHALENE-2,7-DISULFONATE
SpectraBase Compound ID KlM909qaPn
InChI InChI=1S/C30H23N3O9S2.2Na/c1-18-9-5-7-13-24(18)42-25-14-8-6-12-22(25)32-33-28-26(44(39,40)41)16-20-15-21(43(36,37)38)17-23(27(20)29(28)34)31-30(35)19-10-3-2-4-11-19;;/h2-17,32H,1H3,(H,31,35)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2/b33-28-;;
InChIKey DBWPJEFEDHFXDH-QXYCCHFYSA-L
Mol Weight 677.60953856 g/mol
Molecular Formula C30H21N3Na2O9S2
Exact Mass 677.05146 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H4d2m9CPqZw
Name ACID-RED-131;DISODIUM-(3Z)-3-[2-[2-(2-METHYLPHENOXY)-PHENYL-HYDRAZINYLIDENE]-4-OXO-5-[(PHENYLCARBONYL)-AMINO]-3,4-DIHYDRONAPHTHALENE-2,7-DISULFONATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H21N3Na2O9S2
InChI InChI=1S/C30H23N3O9S2.2Na/c1-18-9-5-7-13-24(18)42-25-14-8-6-12-22(25)32-33-28-26(44(39,40)41)16-20-15-21(43(36,37)38)17-23(27(20)29(28)34)31-30(35)19-10-3-2-4-11-19;;/h2-17,32H,1H3,(H,31,35)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2/b33-28-;;
InChIKey DBWPJEFEDHFXDH-QXYCCHFYSA-L
Literature Reference Author E.SCHIVANO,I.MENEGAZZO,E.MAROTTA,S.MAMMI
Literature Reference Citation MAGN.RES.CHEM.,49,523(2011)
Literature Reference DOI 10.1002/mrc.2765
Solvent DMSO-D6
Source File Reference UWBT12993