![Benzenesulfonic acid, 2-[2-[[4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]methylamino]ethyl]-4,5-dimethoxy-, sodium salt](/api/spectrum/LpfhlP08QTl/structure.png?h=300&w=458 "Benzenesulfonic acid, 2-[2-[[4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]methylamino]ethyl]-4,5-dimethoxy-, sodium salt")
| SpectraBase Compound ID | 4A2Kg9aJw1f |
|---|---|
| InChI | InChI=1S/C27H38N2O7S.Na/c1-19(2)27(18-28,21-9-10-22(33-4)24(16-21)35-6)12-8-13-29(3)14-11-20-15-23(34-5)25(36-7)17-26(20)37(30,31)32;/h9-10,15-17,19H,8,11-14H2,1-7H3,(H,30,31,32);/q;+1/p-1 |
| InChIKey | ZOBOJZQEPINHBA-UHFFFAOYSA-M |
| Mol Weight | 556.64976928 g/mol |
| Molecular Formula | C27H37N2NaO7S |
| Exact Mass | 556.221917 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | LpfhlP08QTl |
|---|---|
| Name | Benzenesulfonic acid, 2-[2-[[4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]methylamino]ethyl]-4,5-dimethoxy-, sodium salt |
| CAS Registry Number | 103888-56-8 |
| Copyright | Copyright © 1989, 1990-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C27H37N2NaO7S |
| InChI | InChI=1S/C27H38N2O7S.Na/c1-19(2)27(18-28,21-9-10-22(33-4)24(16-21)35-6)12-8-13-29(3)14-11-20-15-23(34-5)25(36-7)17-26(20)37(30,31)32;/h9-10,15-17,19H,8,11-14H2,1-7H3,(H,30,31,32);/q;+1/p-1 |
| InChIKey | ZOBOJZQEPINHBA-UHFFFAOYSA-M |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |