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2-[2-(ethylthio)nicotinamido]-4-(methylthio)butyric acid, methyl ester
SpectraBase Compound ID HRxhhrEv2J0
InChI InChI=1S/C14H20N2O3S2/c1-4-21-13-10(6-5-8-15-13)12(17)16-11(7-9-20-3)14(18)19-2/h5-6,8,11H,4,7,9H2,1-3H3,(H,16,17)
InChIKey XDXPMSKLJTXFIO-UHFFFAOYSA-N
Mol Weight 328.45 g/mol
Molecular Formula C14H20N2O3S2
Exact Mass 328.091535 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BZC37QM82LN
Name 2-[2-(ethylthio)nicotinamido]-4-(methylthio)butyric acid, methyl ester
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20N2O3S2
InChI InChI=1S/C14H20N2O3S2/c1-4-21-13-10(6-5-8-15-13)12(17)16-11(7-9-20-3)14(18)19-2/h5-6,8,11H,4,7,9H2,1-3H3,(H,16,17)
InChIKey XDXPMSKLJTXFIO-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 48715M
Solvent DMSO-d6