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N-{N-[2-(methylthio)nicotinoyl]methionyl}glycine, ethyl ester

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

N-{N-[2-(methylthio)nicotinoyl]methionyl}glycine, ethyl ester
SpectraBase Compound ID 5GrkuzVLNkw
InChI InChI=1S/C16H23N3O4S2/c1-4-23-13(20)10-18-15(22)12(7-9-24-2)19-14(21)11-6-5-8-17-16(11)25-3/h5-6,8,12H,4,7,9-10H2,1-3H3,(H,18,22)(H,19,21)
InChIKey KVURFIDYUGZTLG-UHFFFAOYSA-N
Mol Weight 385.5 g/mol
Molecular Formula C16H23N3O4S2
Exact Mass 385.112999 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jkzu5Cisn9E
Name N-{N-[2-(METHYLTHIO)NICOTINOYL]METHIONYL}GLYCINE, ETHYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23N3O4S2
InChI InChI=1S/C16H23N3O4S2/c1-4-23-13(20)10-18-15(22)12(7-9-24-2)19-14(21)11-6-5-8-17-16(11)25-3/h5-6,8,12H,4,7,9-10H2,1-3H3,(H,18,22)(H,19,21)
InChIKey KVURFIDYUGZTLG-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 136.5-137C
Molecular Weight 385.51
Solvent CDCl3; Reference=TMS; Temperature 297K