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4-(methylthio)-2-[2-(methylthio)nicotinamido]butyric acid, methyl ester

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

4-(methylthio)-2-[2-(methylthio)nicotinamido]butyric acid, methyl ester
SpectraBase Compound ID 2JQRNBngbse
InChI InChI=1S/C13H18N2O3S2/c1-18-13(17)10(6-8-19-2)15-11(16)9-5-4-7-14-12(9)20-3/h4-5,7,10H,6,8H2,1-3H3,(H,15,16)
InChIKey GSUDSBHFXNANTM-UHFFFAOYSA-N
Mol Weight 314.42 g/mol
Molecular Formula C13H18N2O3S2
Exact Mass 314.075885 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9YOIuREXpC6
Name N-[2-(METHYLTHIO)NICOTINOYL]METHIONINE, METHYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18N2O3S2
InChI InChI=1S/C13H18N2O3S2/c1-18-13(17)10(6-8-19-2)15-11(16)9-5-4-7-14-12(9)20-3/h4-5,7,10H,6,8H2,1-3H3,(H,15,16)
InChIKey GSUDSBHFXNANTM-UHFFFAOYSA-N
Melting Point 89-91C
Molecular Weight 314.43
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BUTYRIC ACID, 4-/METHYLTHIO/- 2-/2-/METHYLTHIO/NICOTINAMIDO/-, METHYL ESTER