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{{2-(methylthio)-4-thiazolyl]amino}methylene}malonic acid, diethyl ester

View entire compound with spectra: 3 NMR, and 1 FTIR

{{2-(methylthio)-4-thiazolyl]amino}methylene}malonic acid, diethyl ester
SpectraBase Compound ID EYgUJhxQdkH
InChI InChI=1S/C12H16N2O4S2/c1-4-17-10(15)8(11(16)18-5-2)6-13-9-7-20-12(14-9)19-3/h6-7,13H,4-5H2,1-3H3
InChIKey CNHHBFBTOCQAFQ-UHFFFAOYSA-N
Mol Weight 316.39 g/mol
Molecular Formula C12H16N2O4S2
Exact Mass 316.055149 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BmNvO64X2xk
Name {{[2-(METHYLTHIO)-4-THIAZOLYL]AMINO}METHYLENE}MALONIC ACID,DIETHYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16N2O4S2
InChI InChI=1S/C12H16N2O4S2/c1-4-17-10(15)8(11(16)18-5-2)6-13-9-7-20-12(14-9)19-3/h6-7,13H,4-5H2,1-3H3
InChIKey CNHHBFBTOCQAFQ-UHFFFAOYSA-N
Melting Point 100-105C
Molecular Weight 316.40
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms MALONIC ACID, {{[2-(METHYLTHIO)-4-THIAZOLYL]AMINO}METHYLENE}-, DIETHYL ESTER