![1,3-Benzenedisulfonic acid, 4-[[4-(butylamino)-3-mthylphenyl][4-(butylimino)-3-methyl-2,5-cyclohexadien-1-ylidene]methyl]-, monosodium salt](/api/spectrum/FL5QdJ7hKms/structure.png?h=300&w=458 "1,3-Benzenedisulfonic acid, 4-[[4-(butylamino)-3-mthylphenyl][4-(butylimino)-3-methyl-2,5-cyclohexadien-1-ylidene]methyl]-, monosodium salt")
| SpectraBase Compound ID | 1jlxnffxm5v |
|---|---|
| InChI | InChI=1S/C29H36N2O6S2.Na/c1-5-7-15-30-26-13-9-22(17-20(26)3)29(23-10-14-27(21(4)18-23)31-16-8-6-2)25-12-11-24(38(32,33)34)19-28(25)39(35,36)37;/h9-14,17-19,30H,5-8,15-16H2,1-4H3,(H,32,33,34)(H,35,36,37);/q;+1/p-1/b29-23+,31-27+; |
| InChIKey | RSYMONWRBIQYNV-LKCDEENESA-M |
| Mol Weight | 594.71676928 g/mol |
| Molecular Formula | C29H35N2NaO6S2 |
| Exact Mass | 594.183423 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | FL5QdJ7hKms |
|---|---|
| Name | 1,3-Benzenedisulfonic acid, 4-[[4-(butylamino)-3-mthylphenyl][4-(butylimino)-3-methyl-2,5-cyclohexadien-1-ylidene]methyl]-, monosodium salt |
| CAS Registry Number | 6362-43-2 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C29H35N2NaO6S2 |
| InChI | InChI=1S/C29H36N2O6S2.Na/c1-5-7-15-30-26-13-9-22(17-20(26)3)29(23-10-14-27(21(4)18-23)31-16-8-6-2)25-12-11-24(38(32,33)34)19-28(25)39(35,36)37;/h9-14,17-19,30H,5-8,15-16H2,1-4H3,(H,32,33,34)(H,35,36,37);/q;+1/p-1/b29-23+,31-27+; |
| InChIKey | RSYMONWRBIQYNV-LKCDEENESA-M |
| Instrument Name | Bruker IFS 85 |
| Synonyms | Di-N-butyl-p-amino-disulfo-dimethyl-fuchsonimonium (Na salt des inn.sulfonates) |
| Technique | KBr-Pellet |