![Sodium 3-{[[4-([4-(ethylamino)-3-methylphenyl]{3-methyl-4-[(3-sulfonatobenzyl)amino]phenyl}methylene)-2,5-cyclohexadien-1-ylidene](methyl)ammonio]methyl}benzenesulfonate](/api/spectrum/7LqY3vJAksf/structure.png?h=300&w=458 "Sodium 3-{[[4-([4-(ethylamino)-3-methylphenyl]{3-methyl-4-[(3-sulfonatobenzyl)amino]phenyl}methylene)-2,5-cyclohexadien-1-ylidene](methyl)ammonio]methyl}benzenesulfonate")
| SpectraBase Compound ID | 5EJ90lRpBVA |
|---|---|
| InChI | InChI=1S/C38H39N3O6S2.Na/c1-5-39-36-18-14-31(20-26(36)2)38(30-12-16-33(17-13-30)41(4)25-29-9-7-11-35(23-29)49(45,46)47)32-15-19-37(27(3)21-32)40-24-28-8-6-10-34(22-28)48(42,43)44;/h6-23H,5,24-25H2,1-4H3,(H3,39,40,42,43,44,45,46,47);/q;+1/p-1 |
| InChIKey | HFQRAUISFKSOAH-UHFFFAOYSA-M |
| Mol Weight | 719.84676928 g/mol |
| Molecular Formula | C38H38N3NaO6S2 |
| Exact Mass | 719.209973 g/mol |
Transmission Infrared (IR) Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7LqY3vJAksf |
|---|---|
| Name | Sodium 3-{[[4-([4-(ethylamino)-3-methylphenyl]{3-methyl-4-[(3-sulfonatobenzyl)amino]phenyl}methylene)-2,5-cyclohexadien-1-ylidene](methyl)ammonio]methyl}benzenesulfonate |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C38H38N3NaO6S2 |
| InChI | InChI=1S/C38H39N3O6S2.Na/c1-5-39-36-18-14-31(20-26(36)2)38(30-12-16-33(17-13-30)41(4)25-29-9-7-11-35(23-29)49(45,46)47)32-15-19-37(27(3)21-32)40-24-28-8-6-10-34(22-28)48(42,43)44;/h6-23H,5,24-25H2,1-4H3,(H3,39,40,42,43,44,45,46,47);/q;+1/p-1 |
| InChIKey | HFQRAUISFKSOAH-UHFFFAOYSA-M |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |