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[2-(methylthio)nicotinamido]malonic acid, diethyl ester

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

[2-(methylthio)nicotinamido]malonic acid, diethyl ester
SpectraBase Compound ID 6fXkd7FFcxh
InChI InChI=1S/C14H18N2O5S/c1-4-20-13(18)10(14(19)21-5-2)16-11(17)9-7-6-8-15-12(9)22-3/h6-8,10H,4-5H2,1-3H3,(H,16,17)
InChIKey RGSWBPILOVNTJI-UHFFFAOYSA-N
Mol Weight 326.37 g/mol
Molecular Formula C14H18N2O5S
Exact Mass 326.093643 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IeS10MpeFuf
Name [2-(METHYLTHIO)NICOTINAMIDO]MALONIC ACID, DIETHYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18N2O5S
InChI InChI=1S/C14H18N2O5S/c1-4-20-13(18)10(14(19)21-5-2)16-11(17)9-7-6-8-15-12(9)22-3/h6-8,10H,4-5H2,1-3H3,(H,16,17)
InChIKey RGSWBPILOVNTJI-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 80-82C
Molecular Weight 326.37
Solvent CDCl3; Reference=TMS; Temperature 297K