![Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]phenylmethylene]-2,5-cyclohexadien-](/api/spectrum/C4n9fSepj4X/structure.png?h=300&w=458 "Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]phenylmethylene]-2,5-cyclohexadien-")
| SpectraBase Compound ID | J0ns9c4Kn1V |
|---|---|
| InChI | InChI=1S/C33H24N6O10S2.3Na/c1-18-31(32(41)39(38-18)24-16-26-25(30(17-24)51(47,48)49)3-2-4-29(26)50(44,45)46)37-35-22-11-7-20(8-12-22)19-5-9-21(10-6-19)34-36-23-13-14-28(40)27(15-23)33(42)43;;;/h2-17,40-41H,1H3,(H,42,43)(H,44,45,46)(H,47,48,49);;;/q;3*+1/p-3/b36-34-,37-35-;;; |
| InChIKey | FSNAVLHMOMEYFF-NBQPDWOHSA-K |
| Mol Weight | 794.65230785 g/mol |
| Molecular Formula | C33H21N6Na3O10S2 |
| Exact Mass | 794.045366 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | C4n9fSepj4X |
|---|---|
| Name | Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]phenylmethylene]-2,5-cyclohexadien- |
| CAS Registry Number | 6426-60-4 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C33H21N6Na3O10S2 |
| InChI | InChI=1S/C33H24N6O10S2.3Na/c1-18-31(32(41)39(38-18)24-16-26-25(30(17-24)51(47,48)49)3-2-4-29(26)50(44,45)46)37-35-22-11-7-20(8-12-22)19-5-9-21(10-6-19)34-36-23-13-14-28(40)27(15-23)33(42)43;;;/h2-17,40-41H,1H3,(H,42,43)(H,44,45,46)(H,47,48,49);;;/q;3*+1/p-3/b36-34-,37-35-;;; |
| InChIKey | FSNAVLHMOMEYFF-NBQPDWOHSA-K |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |