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N(ALPHA)-PHENYLTHIOCARBAMOYL-N-METHYLASPARAGINIC ACID AMIDE,METHYLAMMONIUM SALT
SpectraBase Compound ID GZGIU7rsSgb
InChI InChI=1S/C12H15N3O3S.CH5N/c1-13-11(18)9(7-10(16)17)15-12(19)14-8-5-3-2-4-6-8;1-2/h2-6,9H,7H2,1H3,(H,13,18)(H,16,17)(H2,14,15,19);2H2,1H3
InChIKey YDGOGSXDJPJUOW-UHFFFAOYSA-N
Mol Weight 312.39 g/mol
Molecular Formula C13H20N4O3S
Exact Mass 312.125612 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GQiN3PhBGH0
Name N(ALPHA)-PHENYLTHIOCARBAMOYL-N-METHYLASPARAGINIC ACID AMIDE,METHYLAMMONIUM SALT
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H20N4O3S
InChI InChI=1S/C12H15N3O3S.CH5N/c1-13-11(18)9(7-10(16)17)15-12(19)14-8-5-3-2-4-6-8;1-2/h2-6,9H,7H2,1H3,(H,13,18)(H,16,17)(H2,14,15,19);2H2,1H3
InChIKey YDGOGSXDJPJUOW-UHFFFAOYSA-N
Instrument Name Bruker AM-400
Literature Reference M.PAVLIK, I.KLUH, F.PAVLIKOVA, S.VASICKOVA (1989) Coll.Czech.Chem.Comm.: v.54,N7, 1940-1954.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C2D6SO dimethylsulfo