SpectraBase Compound ID | 6DFb8tbTrQR |
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InChI | InChI=1S/C43H36N4O14S4.2Ba/c1-22-16-35(44-46-40-31-12-10-29(62(50,51)52)18-27(31)20-37(42(40)48)64(56,57)58)24(3)14-33(22)39(26-8-6-5-7-9-26)34-15-25(4)36(17-23(34)2)45-47-41-32-13-11-30(63(53,54)55)19-28(32)21-38(43(41)49)65(59,60)61;;/h5-21,39,48-49H,1-4H3,(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61);;/q;2*+2/p-4 |
InChIKey | GMWWRMKKDQZIPU-UHFFFAOYSA-J |
Mol Weight | 1231.638 g/mol |
Molecular Formula | C43H32Ba2N4O14S4 |
Exact Mass | 1231.89028 g/mol |
SpectraBase Spectrum ID | 2bpJDffdBNQ |
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Name | Dibarium 3-hydroxy-4-({4-[{4-[(2-hydroxy-3,6-disulfonato-1-naphthyl)diazenyl]-2,5-dimethylphenyl}(phenyl)methyl]-2,5-dimethylphenyl}diazenyl)-2,7-naphthalenedisulfonate |
CAS Registry Number | 34776-96-0 |
Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C43H32Ba2N4O14S4 |
InChI | InChI=1S/C43H36N4O14S4.2Ba/c1-22-16-35(44-46-40-31-12-10-29(62(50,51)52)18-27(31)20-37(42(40)48)64(56,57)58)24(3)14-33(22)39(26-8-6-5-7-9-26)34-15-25(4)36(17-23(34)2)45-47-41-32-13-11-30(63(53,54)55)19-28(32)21-38(43(41)49)65(59,60)61;;/h5-21,39,48-49H,1-4H3,(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61);;/q;2*+2/p-4 |
InChIKey | GMWWRMKKDQZIPU-UHFFFAOYSA-J |
Instrument Name | Bruker IFS 85 |
Technique | KBr-Pellet |