![Methylium, [4-(dimethylamino)phenyl][3-methoxy-4-sulfophenyl]4-[methyl(3-sulfophenyl)amino]phenyl]-, monosodium salt](/api/spectrum/4QroHV0F3Wm/structure.png?h=300&w=458 "Methylium, [4-(dimethylamino)phenyl][3-methoxy-4-sulfophenyl]4-[methyl(3-sulfophenyl)amino]phenyl]-, monosodium salt")
| SpectraBase Compound ID | 1i6LWSJH9a4 |
|---|---|
| InChI | InChI=1S/C29H28N2O7S2.Na/c1-30(2)23-13-8-20(9-14-23)29(22-12-17-28(40(35,36)37)27(18-22)38-4)21-10-15-24(16-11-21)31(3)25-6-5-7-26(19-25)39(32,33)34;/h5-19H,1-4H3,(H-,32,33,34,35,36,37);/q;+1/p-1 |
| InChIKey | ZIXUFKKIKYWZIG-UHFFFAOYSA-M |
| Mol Weight | 602.65176928 g/mol |
| Molecular Formula | C29H27N2NaO7S2 |
| Exact Mass | 602.115738 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 4QroHV0F3Wm |
|---|---|
| Name | Methylium, [4-(dimethylamino)phenyl][3-methoxy-4-sulfophenyl]4-[methyl(3-sulfophenyl)amino]phenyl]-, monosodium salt |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C29H27N2NaO7S2 |
| InChI | InChI=1S/C29H28N2O7S2.Na/c1-30(2)23-13-8-20(9-14-23)29(22-12-17-28(40(35,36)37)27(18-22)38-4)21-10-15-24(16-11-21)31(3)25-6-5-7-26(19-25)39(32,33)34;/h5-19H,1-4H3,(H-,32,33,34,35,36,37);/q;+1/p-1 |
| InChIKey | ZIXUFKKIKYWZIG-UHFFFAOYSA-M |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |