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2-Naphthalenesulfonic acid, 3-[[4-[[[[4-[(2-amino-8-hydroxy-6-sulfo-1-naphthalenyl)azo]-3-sulfophenyl]amino]carbonyl]amino]-2-sulfophenyl]azo]-4-hydroxy-7-(phenylamino)-, tetrasodium salt
SpectraBase Compound ID 9GtOyXDefgq
InChI InChI=1S/C39H30N8O15S4.4Na/c40-28-11-6-20-15-26(63(51,52)53)19-31(48)35(20)36(28)46-44-29-12-8-24(17-32(29)64(54,55)56)42-39(50)43-25-9-13-30(33(18-25)65(57,58)59)45-47-37-34(66(60,61)62)16-21-14-23(7-10-27(21)38(37)49)41-22-4-2-1-3-5-22;;;;/h1-19,41,48-49H,40H2,(H2,42,43,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;/q;4*+1/p-4/b46-44+,47-45?;;;;
InChIKey JRJCNERLGKHTBE-BLEIXJTRSA-J
Mol Weight 1066.87707713 g/mol
Molecular Formula C39H26N8Na4O15S4
Exact Mass 1065.999124 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 7GZ1AIuMOo0
Name 2-Naphthalenesulfonic acid, 3-[[4-[[[[4-[(2-amino-8-hydroxy-6-sulfo-1-naphthalenyl)azo]-3-sulfophenyl]amino]carbonyl]amino]-2-sulfophenyl]azo]-4-hydroxy-7-(phenylamino)-, tetrasodium salt
CAS Registry Number 6771-82-0
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C39H26N8Na4O15S4
InChI InChI=1S/C39H30N8O15S4.4Na/c40-28-11-6-20-15-26(63(51,52)53)19-31(48)35(20)36(28)46-44-29-12-8-24(17-32(29)64(54,55)56)42-39(50)43-25-9-13-30(33(18-25)65(57,58)59)45-47-37-34(66(60,61)62)16-21-14-23(7-10-27(21)38(37)49)41-22-4-2-1-3-5-22;;;;/h1-19,41,48-49H,40H2,(H2,42,43,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;/q;4*+1/p-4/b46-44+,47-45?;;;;
InChIKey JRJCNERLGKHTBE-BLEIXJTRSA-J
Instrument Name Bruker IFS 85
Technique KBr-Pellet