| SpectraBase Compound ID | 5DSBNFpFWsu |
|---|---|
| InChI | InChI=1S/C45H46N4O6S2.Na/c1-5-48(29-33-11-9-13-39(27-33)56(50,51)52)37-21-23-41(31(3)25-37)45(35-17-19-36(20-18-35)47-44-16-8-7-15-43(44)46)42-24-22-38(26-32(42)4)49(6-2)30-34-12-10-14-40(28-34)57(53,54)55;/h7-28H,5-6,29-30,46H2,1-4H3,(H2,50,51,52,53,54,55);/q;+1/p-1 |
| InChIKey | FVEMMVRJKZPSIT-UHFFFAOYSA-M |
| Mol Weight | 824.98676928 g/mol |
| Molecular Formula | C45H45N4NaO6S2 |
| Exact Mass | 824.267822 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 7QBlglYQLL1 |
|---|---|
| Name | Methylium, bis [4-[methyl[(3-sulfophenyl)methyl]amino]-2-methylphenyl][[4-[(2-amino)phenyl]amino]phenyl],-monosodium salt |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C45H45N4NaO6S2 |
| InChI | InChI=1S/C45H46N4O6S2.Na/c1-5-48(29-33-11-9-13-39(27-33)56(50,51)52)37-21-23-41(31(3)25-37)45(35-17-19-36(20-18-35)47-44-16-8-7-15-43(44)46)42-24-22-38(26-32(42)4)49(6-2)30-34-12-10-14-40(28-34)57(53,54)55;/h7-28H,5-6,29-30,46H2,1-4H3,(H2,50,51,52,53,54,55);/q;+1/p-1 |
| InChIKey | FVEMMVRJKZPSIT-UHFFFAOYSA-M |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |