For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
[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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8O2ep67VfK4
Name [2-(METHYLTHIO)NICOTINAMIDO]MALONIC ACID, DIETHYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 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
Melting Point 80-82C
Molecular Weight 326.37
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms MALONIC ACID, /2-/METHYLTHIO/NICOTINAMIDO/-, DIETHYL ESTER