| SpectraBase Compound ID | LLSU7tZWToM |
|---|---|
| InChI | InChI=1S/C20H25N6O2.CH4O4S/c1-5-24(12-13-26(2,3)4)18-8-6-17(7-9-18)22-23-20-11-10-19(25(27)28)14-16(20)15-21;1-5-6(2,3)4/h6-11,14H,5,12-13H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1/b23-22+; |
| InChIKey | JHLCQUCAFIFTML-PGCQSHBKSA-M |
| Mol Weight | 492.55 g/mol |
| Molecular Formula | C21H28N6O6S |
| Exact Mass | 492.179104 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | FR2RgcbEpCU |
|---|---|
| Name | (2-N-Ethylanilinoethyl)trimethylammonium methylsulfate |
| CAS Registry Number | 37216-10-7 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C21H28N6O6S |
| InChI | InChI=1S/C20H25N6O2.CH4O4S/c1-5-24(12-13-26(2,3)4)18-8-6-17(7-9-18)22-23-20-11-10-19(25(27)28)14-16(20)15-21;1-5-6(2,3)4/h6-11,14H,5,12-13H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1/b23-22+; |
| InChIKey | JHLCQUCAFIFTML-PGCQSHBKSA-M |
| Instrument Name | Bruker IFS 85 |
| Synonyms | 2-Amino-5-nitrobenzonitrile->Ethanaminium, 2-[[4-[(2-cyano-4-nitrophenyl)azo]phenyl] |
| Technique | KBr-Pellet |