![Benzenemethanaminium, N-[4-[(2-chlorophenyl)[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-](/api/spectrum/2W69wx2Bzqi/structure.png?h=300&w=458 "Benzenemethanaminium, N-[4-[(2-chlorophenyl)[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-")
| SpectraBase Compound ID | 9lpAfYpTGkB |
|---|---|
| InChI | InChI=1S/C37H35ClN2O6S2.Na/c1-3-39(25-27-9-7-11-33(23-27)47(41,42)43)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)38)30-17-21-32(22-18-30)40(4-2)26-28-10-8-12-34(24-28)48(44,45)46;/h5-24H,3-4,25-26H2,1-2H3,(H-,41,42,43,44,45,46);/q;+1/p-1 |
| InChIKey | SHBDDIJUSNNBLQ-UHFFFAOYSA-M |
| Mol Weight | 725.24976928 g/mol |
| Molecular Formula | C37H34ClN2NaO6S2 |
| Exact Mass | 724.144451 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 2W69wx2Bzqi |
|---|---|
| Name | Benzenemethanaminium, N-[4-[(2-chlorophenyl)[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo- |
| CAS Registry Number | 41573-37-9 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C37H34ClN2NaO6S2 |
| InChI | InChI=1S/C37H35ClN2O6S2.Na/c1-3-39(25-27-9-7-11-33(23-27)47(41,42)43)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)38)30-17-21-32(22-18-30)40(4-2)26-28-10-8-12-34(24-28)48(44,45)46;/h5-24H,3-4,25-26H2,1-2H3,(H-,41,42,43,44,45,46);/q;+1/p-1 |
| InChIKey | SHBDDIJUSNNBLQ-UHFFFAOYSA-M |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |