SpectraBase Compound ID | Knpu1TKNQ5G |
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InChI | InChI=1S/C29H21N5O7S.2Na/c30-24-11-5-18-13-22(42(39,40)41)15-26(36)27(18)28(24)34-32-20-8-3-17(4-9-20)16-1-6-19(7-2-16)31-33-21-10-12-25(35)23(14-21)29(37)38;;/h1-15,35-36H,30H2,(H,37,38)(H,39,40,41);;/q;2*+1/p-2/b33-31+,34-32+;; |
InChIKey | YCMOBGSVZYLYBZ-KZIIJSKASA-L |
Mol Weight | 627.53853856 g/mol |
Molecular Formula | C29H19N5Na2O7S |
Exact Mass | 627.080058 g/mol |
SpectraBase Spectrum ID | BY9mQGDH0AR |
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Name | Benzoic acid, 5-[[4'-[(2-amino-8-hydroxy-6-sulfo-1-naphthalenyl)azo][1,1'-biphenyl]-4-yl]azo]-2-hydroxy-, disodium salt |
CAS Registry Number | 2429-84-7 |
Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C29H19N5Na2O7S |
InChI | InChI=1S/C29H21N5O7S.2Na/c30-24-11-5-18-13-22(42(39,40)41)15-26(36)27(18)28(24)34-32-20-8-3-17(4-9-20)16-1-6-19(7-2-16)31-33-21-10-12-25(35)23(14-21)29(37)38;;/h1-15,35-36H,30H2,(H,37,38)(H,39,40,41);;/q;2*+1/p-2/b33-31+,34-32+;; |
InChIKey | YCMOBGSVZYLYBZ-KZIIJSKASA-L |
Instrument Name | Bruker IFS 85 |
Technique | KBr-Pellet |