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3-AMINO-3-(2,5-DIMETHYLTHIEN-3-YL)-PROPANOIC-ACID
SpectraBase Compound ID KMJ64vGLG0R
InChI InChI=1S/C9H13NO2S/c1-5-3-7(6(2)13-5)8(10)4-9(11)12/h3,8H,4,10H2,1-2H3,(H,11,12)
InChIKey CUQAJVITOFFMQS-UHFFFAOYSA-N
Mol Weight 199.27 g/mol
Molecular Formula C9H13NO2S
Exact Mass 199.0667 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JzcM1V7btga
Name 3-AMINO-3-(2,5-DIMETHYLTHIEN-3-YL)-PROPANOIC-ACID
Compound Number 13G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H13NO2S
InChI InChI=1S/C9H13NO2S/c1-5-3-7(6(2)13-5)8(10)4-9(11)12/h3,8H,4,10H2,1-2H3,(H,11,12)
InChIKey CUQAJVITOFFMQS-UHFFFAOYSA-N
Literature Reference Author P.DALLEMAGNE,L.P.KHANH,A.ALSAIEDI,O.RENAULT,I.VARLET,V.COLLO T,R.BUREAU,S.RAULT
Literature Reference Citation BIOORG.MED.CHEM.,10,2185(2002)
Literature Reference DOI 10.1016/S0968-0896(02)00070-6
Molecular Weight 199.268 g/mol
Solvent DMSO-D6
Source File Reference UWVN28440