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Benzoic acid, 5-[[4'-[[2,4-diamino-5-[(4-sulfophenyl)azo]Salicylacid(1)[-benzidin-](2)[m-Phenylendiamin(ac.)<-sulfanilacid]
SpectraBase Compound ID D8VG42er0jZ
InChI InChI=1S/C31H24N8O6S.2Na/c32-26-16-27(33)29(39-36-22-9-12-24(13-10-22)46(43,44)45)17-28(26)38-35-21-7-3-19(4-8-21)18-1-5-20(6-2-18)34-37-23-11-14-30(40)25(15-23)31(41)42;;/h1-17,40H,32-33H2,(H,41,42)(H,43,44,45);;/q;2*+1/p-2/b37-34+,38-35+,39-36-;;
InChIKey VLTXMDHMAOPIKT-FKGKGLAHSA-L
Mol Weight 680.60653856 g/mol
Molecular Formula C31H22N8Na2O6S
Exact Mass 680.11784 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID IaBBclSLzoQ
Name Benzoic acid, 5-[[4'-[[2,4-diamino-5-[(4-sulfophenyl)azo]Salicylacid(1)[-benzidin-](2)[m-Phenylendiamin(ac.)<-sulfanilacid]
CAS Registry Number 3811-71-0
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C31H22N8Na2O6S
InChI InChI=1S/C31H24N8O6S.2Na/c32-26-16-27(33)29(39-36-22-9-12-24(13-10-22)46(43,44)45)17-28(26)38-35-21-7-3-19(4-8-21)18-1-5-20(6-2-18)34-37-23-11-14-30(40)25(15-23)31(41)42;;/h1-17,40H,32-33H2,(H,41,42)(H,43,44,45);;/q;2*+1/p-2/b37-34+,38-35+,39-36-;;
InChIKey VLTXMDHMAOPIKT-FKGKGLAHSA-L
Instrument Name Bruker IFS 85
Technique KBr-Pellet