![Methylium, [4-(dimethylamino)phenyl]bis[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]-, hydroxide, inner salt, ion(1-)](/api/spectrum/AvLdNigq8sq/structure.png?h=300&w=458 "Methylium, [4-(dimethylamino)phenyl]bis[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]-, hydroxide, inner salt, ion(1-)")
| SpectraBase Compound ID | 5XFj9P6y8vJ |
|---|---|
| InChI | InChI=1S/C39H41N3O6S2.Na/c1-5-41(27-29-9-7-11-37(25-29)49(43,44)45)35-21-15-32(16-22-35)39(31-13-19-34(20-14-31)40(3)4)33-17-23-36(24-18-33)42(6-2)28-30-10-8-12-38(26-30)50(46,47)48;/h7-26H,5-6,27-28H2,1-4H3,(H-,43,44,45,46,47,48);/q;+1/p-1 |
| InChIKey | AXMCIYLNKNGNOT-UHFFFAOYSA-M |
| Mol Weight | 733.87376928 g/mol |
| Molecular Formula | C39H40N3NaO6S2 |
| Exact Mass | 733.225623 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 | AvLdNigq8sq |
|---|---|
| Name | Methylium, [4-(dimethylamino)phenyl]bis[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]-, hydroxide, inner salt, ion(1-) |
| CAS Registry Number | 78380-77-5 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C39H40N3NaO6S2 |
| InChI | InChI=1S/C39H41N3O6S2.Na/c1-5-41(27-29-9-7-11-37(25-29)49(43,44)45)35-21-15-32(16-22-35)39(31-13-19-34(20-14-31)40(3)4)33-17-23-36(24-18-33)42(6-2)28-30-10-8-12-38(26-30)50(46,47)48;/h7-26H,5-6,27-28H2,1-4H3,(H-,43,44,45,46,47,48);/q;+1/p-1 |
| InChIKey | AXMCIYLNKNGNOT-UHFFFAOYSA-M |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |