![[2-(benzylmethylamino)ethyl][2-(methylthio)ethyl]malonic acid, diethyl ester, hydrochloride](/api/spectrum/D6FIM0nJLGN/structure.png?h=300&w=458 "[2-(benzylmethylamino)ethyl][2-(methylthio)ethyl]malonic acid, diethyl ester, hydrochloride")
| SpectraBase Compound ID | BeVYOMWQWTI |
|---|---|
| InChI | InChI=1S/C20H31NO4S.ClH/c1-5-24-18(22)20(13-15-26-4,19(23)25-6-2)12-14-21(3)16-17-10-8-7-9-11-17;/h7-11H,5-6,12-16H2,1-4H3;1H |
| InChIKey | OJXBEOJUKXUSRH-UHFFFAOYSA-N |
| Mol Weight | 418.0 g/mol |
| Molecular Formula | C20H32ClNO4S |
| Exact Mass | 417.174057 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D6FIM0nJLGN |
|---|---|
| Name | [2-(benzylmethylamino)ethyl][2-(methylthio)ethyl]malonic acid, diethyl ester, hydrochloride |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H32ClNO4S |
| InChI | InChI=1S/C20H31NO4S.ClH/c1-5-24-18(22)20(13-15-26-4,19(23)25-6-2)12-14-21(3)16-17-10-8-7-9-11-17;/h7-11H,5-6,12-16H2,1-4H3;1H |
| InChIKey | OJXBEOJUKXUSRH-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 37887M |
| Solvent | CDCl3 |