SpectraBase Compound ID | 2yNzZQzS3tr |
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InChI | InChI=1S/C51H50N4O6S2.Na/c1-5-54(34-38-14-12-18-45(32-38)62(56,57)58)43-26-28-47(36(3)30-43)51(40-22-24-42(25-23-40)53-50-21-11-10-20-49(50)52-41-16-8-7-9-17-41)48-29-27-44(31-37(48)4)55(6-2)35-39-15-13-19-46(33-39)63(59,60)61;/h7-33,52H,5-6,34-35H2,1-4H3,(H2,56,57,58,59,60,61);/q;+1/p-1 |
InChIKey | BVVLKYGGKWJZBU-UHFFFAOYSA-M |
Mol Weight | 901.08476928 g/mol |
Molecular Formula | C51H49N4NaO6S2 |
Exact Mass | 900.299122 g/mol |
SpectraBase Spectrum ID | CCip5i1pOtL |
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Name | Methylium, [4-[[(2-amino}phenyl]amino]phenyl]bis[4-[ethyl[(3-sulfophenyl)methyl]amino]-2-methylphenyl]]-, sodium salt |
Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C51H49N4NaO6S2 |
InChI | InChI=1S/C51H50N4O6S2.Na/c1-5-54(34-38-14-12-18-45(32-38)62(56,57)58)43-26-28-47(36(3)30-43)51(40-22-24-42(25-23-40)53-50-21-11-10-20-49(50)52-41-16-8-7-9-17-41)48-29-27-44(31-37(48)4)55(6-2)35-39-15-13-19-46(33-39)63(59,60)61;/h7-33,52H,5-6,34-35H2,1-4H3,(H2,56,57,58,59,60,61);/q;+1/p-1 |
InChIKey | BVVLKYGGKWJZBU-UHFFFAOYSA-M |
Instrument Name | Bruker IFS 85 |
Technique | KBr-Pellet |