SpectraBase Compound ID | IXZ1DIX9hBS |
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InChI | InChI=1S/C27H16N4O6S3.2Na/c32-21-11-9-17(13-18(21)27(33)34)31-30-16-7-4-14(5-8-16)25-28-19-10-6-15(12-22(19)38-25)26-29-20-2-1-3-23(24(20)39-26)40(35,36)37;;/h1-13,32H,(H,33,34)(H,35,36,37);;/q;2*+1/p-2/b31-30+;; |
InChIKey | GWOJZOJVBTYROC-DGVXSHAUSA-L |
Mol Weight | 632.59053856 g/mol |
Molecular Formula | C27H14N4Na2O6S3 |
Exact Mass | 631.987086 g/mol |
SpectraBase Spectrum ID | BvbAFi9XCYd |
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Name | Disodium 2-hydroxy-5-{[4-(7-sulfonato-2,6'-bi-1,3-benzothiazol-2'-yl)phenyl]diazenyl}benzoate |
Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C27H14N4Na2O6S3 |
InChI | InChI=1S/C27H16N4O6S3.2Na/c32-21-11-9-17(13-18(21)27(33)34)31-30-16-7-4-14(5-8-16)25-28-19-10-6-15(12-22(19)38-25)26-29-20-2-1-3-23(24(20)39-26)40(35,36)37;;/h1-13,32H,(H,33,34)(H,35,36,37);;/q;2*+1/p-2/b31-30+;; |
InChIKey | GWOJZOJVBTYROC-DGVXSHAUSA-L |
Instrument Name | Bruker IFS 85 |
Technique | KBr-Pellet |