| SpectraBase Compound ID | 3OnbXDnashJ |
|---|---|
| InChI | InChI=1S/C37H36N2O9S3.2Na/c1-3-38(25-27-7-5-9-35(23-27)50(43,44)45)32-17-11-29(12-18-32)37(31-15-21-34(22-16-31)49(40,41)42)30-13-19-33(20-14-30)39(4-2)26-28-8-6-10-36(24-28)51(46,47)48;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);;/q;2*+1/p-2 |
| InChIKey | DGOBMKYRQHEFGQ-UHFFFAOYSA-L |
| Mol Weight | 792.84353856 g/mol |
| Molecular Formula | C37H34N2Na2O9S3 |
| Exact Mass | 792.122183 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 | Lm4tn0BgYow |
|---|---|
| Name | Methylium, bis[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](4-sulfophenyl)-, trihydroxide, tris(inner salt) |
| CAS Registry Number | 68277-96-3 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C37H34N2Na2O9S3 |
| InChI | InChI=1S/C37H36N2O9S3.2Na/c1-3-38(25-27-7-5-9-35(23-27)50(43,44)45)32-17-11-29(12-18-32)37(31-15-21-34(22-16-31)49(40,41)42)30-13-19-33(20-14-30)39(4-2)26-28-8-6-10-36(24-28)51(46,47)48;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);;/q;2*+1/p-2 |
| InChIKey | DGOBMKYRQHEFGQ-UHFFFAOYSA-L |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |