![Sodium 4-[(4-{[4-(dimethylamino)phenyl][4-(dimethyliminio)-2,5-cyclohexadien-1-ylidene]methyl}-3-sulfonatophenyl)amino]-3,5-dinitrobenzenesulfonate](/api/spectrum/CpiZmnP1U44/structure.png?h=300&w=458 "Sodium 4-[(4-{[4-(dimethylamino)phenyl][4-(dimethyliminio)-2,5-cyclohexadien-1-ylidene]methyl}-3-sulfonatophenyl)amino]-3,5-dinitrobenzenesulfonate")
| SpectraBase Compound ID | C00ynYEOO2n |
|---|---|
| InChI | InChI=1S/C29H27N5O10S2.Na/c1-31(2)21-10-5-18(6-11-21)28(19-7-12-22(13-8-19)32(3)4)24-14-9-20(15-27(24)46(42,43)44)30-29-25(33(35)36)16-23(45(39,40)41)17-26(29)34(37)38;/h5-17H,1-4H3,(H2,39,40,41,42,43,44);/q;+1/p-1 |
| InChIKey | HJJRHTQPYYMYPB-UHFFFAOYSA-M |
| Mol Weight | 691.66176928 g/mol |
| Molecular Formula | C29H26N5NaO10S2 |
| Exact Mass | 691.101879 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | CpiZmnP1U44 |
|---|---|
| Name | Sodium 4-[(4-{[4-(dimethylamino)phenyl][4-(dimethyliminio)-2,5-cyclohexadien-1-ylidene]methyl}-3-sulfonatophenyl)amino]-3,5-dinitrobenzenesulfonate |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C29H26N5NaO10S2 |
| InChI | InChI=1S/C29H27N5O10S2.Na/c1-31(2)21-10-5-18(6-11-21)28(19-7-12-22(13-8-19)32(3)4)24-14-9-20(15-27(24)46(42,43)44)30-29-25(33(35)36)16-23(45(39,40)41)17-26(29)34(37)38;/h5-17H,1-4H3,(H2,39,40,41,42,43,44);/q;+1/p-1 |
| InChIKey | HJJRHTQPYYMYPB-UHFFFAOYSA-M |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |