SpectraBase Compound ID | FL8DuMDt02e |
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InChI | InChI=1S/C17H12N2O10S2.3Na/c20-15-10-4-2-1-3-9(10)14(31(27,28)29)7-13(15)19-18-12-6-8(30(24,25)26)5-11(16(12)21)17(22)23;;;/h1-7,20-21H,(H,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3/b19-18+;;; |
InChIKey | MGZYVJFYGCSFEJ-HRBIVCMLSA-K |
Mol Weight | 534.35230785 g/mol |
Molecular Formula | C17H9N2Na3O10S2 |
Exact Mass | 533.93917 g/mol |
SpectraBase Spectrum ID | H5VymkogK7R |
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Name | Benzoic acid, 2-hydroxy-3-[(1-hydroxy-4-sulfo-2-Naphthalenyl)azo]-5-sulfo-, trisodium salt |
CAS Registry Number | 5858-43-5 |
Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C17H9N2Na3O10S2 |
InChI | InChI=1S/C17H12N2O10S2.3Na/c20-15-10-4-2-1-3-9(10)14(31(27,28)29)7-13(15)19-18-12-6-8(30(24,25)26)5-11(16(12)21)17(22)23;;;/h1-7,20-21H,(H,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3/b19-18+;;; |
InChIKey | MGZYVJFYGCSFEJ-HRBIVCMLSA-K |
Instrument Name | Bruker IFS 85 |
Technique | KBr-Pellet |