| SpectraBase Compound ID | 4R0q1doRpH |
|---|---|
| InChI | InChI=1S/C31H33N3O6S2.Na/c1-32(2)26-14-9-23(10-15-26)31(25-13-18-29(33(3)4)30(20-25)42(38,39)40)24-11-16-27(17-12-24)34(5)21-22-7-6-8-28(19-22)41(35,36)37;/h6-20H,21H2,1-5H3,(H-,35,36,37,38,39,40);/q;+1/p-1 |
| InChIKey | FLOMHNPVJPAASA-UHFFFAOYSA-M |
| Mol Weight | 629.72176928 g/mol |
| Molecular Formula | C31H32N3NaO6S2 |
| Exact Mass | 629.163022 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | HRGUC35ANzn |
|---|---|
| Name | Methylium,[4-(dimethylamino)phenyl][4-[methyl[(3-sulfophenyl)methyl]]amino]phenyl][4-(dimethylamino-3-sulfophenyl]-,sodium salt |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C31H32N3NaO6S2 |
| InChI | InChI=1S/C31H33N3O6S2.Na/c1-32(2)26-14-9-23(10-15-26)31(25-13-18-29(33(3)4)30(20-25)42(38,39)40)24-11-16-27(17-12-24)34(5)21-22-7-6-8-28(19-22)41(35,36)37;/h6-20H,21H2,1-5H3,(H-,35,36,37,38,39,40);/q;+1/p-1 |
| InChIKey | FLOMHNPVJPAASA-UHFFFAOYSA-M |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |