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(R,S)-5-AMINO-3-(4-METHYLPHENYL)-PENTANOIC-ACID-HYDROCHLORIDE
SpectraBase Compound ID JMElombZcq0
InChI InChI=1S/C12H17NO2.ClH/c1-9-2-4-10(5-3-9)11(6-7-13)8-12(14)15;/h2-5,11H,6-8,13H2,1H3,(H,14,15);1H
InChIKey POTUOIMQYXHBQX-UHFFFAOYSA-N
Mol Weight 243.73 g/mol
Molecular Formula C12H18ClNO2
Exact Mass 243.102607 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4V8Zf8wQ2KE
Name (R,S)-5-AMINO-3-(4-METHYLPHENYL)-PENTANOIC-ACID-HYDROCHLORIDE
Compound Number 1C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H18ClNO2
InChI InChI=1S/C12H17NO2.ClH/c1-9-2-4-10(5-3-9)11(6-7-13)8-12(14)15;/h2-5,11H,6-8,13H2,1H3,(H,14,15);1H
InChIKey POTUOIMQYXHBQX-UHFFFAOYSA-N
Literature Reference Author M.I.ATTIA,C.HERDEIS,H.BRAEUNER-OSBORNE
Literature Reference Citation MOLECULES,18,10266(2013)
Literature Reference DOI 10.3390/molecules180910266
Molecular Weight 243.733 g/mol
Solvent D2O
Source File Reference UWIR9165