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[2-(benzylmethylamino)ethyl][2-(methylthio)ethyl]malonic acid, diethyl ester, hydrochloride

View entire compound with spectra: 2 NMR, and 1 FTIR

[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

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6yO8XwaKgzQ
Name [2-(BENZYLMETHYLAMINO)ETHYL][2-(METHYLTHIO)ETHYL]MALONIC ACID, DIETHYL ESTER,HYDROCHLORIDE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H31NO4S HCl
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
Molecular Weight 418.00
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms MALONIC ACID, /2-/BENZYLMETHYLAMINO/ETHYL//2-/METHYLTHIO/ETHYL/-, DIETHYL ESTER, HYDROCHLORIDE