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3-(2-thienyl)-beta-alanine, hydrochloride
SpectraBase Compound ID FrsqPwvOmUh
InChI InChI=1S/C7H9NO2S.ClH/c8-5(4-7(9)10)6-2-1-3-11-6;/h1-3,5H,4,8H2,(H,9,10);1H
InChIKey LAAXNLCUHPEQSS-UHFFFAOYSA-N
Mol Weight 207.68 g/mol
Molecular Formula C7H10ClNO2S
Exact Mass 207.012077 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6CqLI19uUzg
Name beta-AMINO-2-THIOPHENEPROPIONIC ACID, HYDROCHLORIDE
Source of Sample L. Goldfarb, Institute of Organic Chemistry, Academy of Science, Moscow, Russia
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H9NO2S HCl
InChI InChI=1S/C7H9NO2S.ClH/c8-5(4-7(9)10)6-2-1-3-11-6;/h1-3,5H,4,8H2,(H,9,10);1H
InChIKey LAAXNLCUHPEQSS-UHFFFAOYSA-N
Melting Point 170-171C (dec.)
Molecular Weight 207.68
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms B-ALANINE, 3-/2-THIENYL/-, HYDROCHLORIDE