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5-AMINO-[1,4-(C-13)2]-LAEVULINIC-ACID-HYDROCHLORIDE
SpectraBase Compound ID HQtzvP53JZ8
InChI InChI=1S/C5H9NO3.ClH/c6-3-4(7)1-2-5(8)9;/h1-3,6H2,(H,8,9);1H/p-1/i4+1,5+1;
InChIKey ZLHFONARZHCSET-BIZAMFJHSA-M
Mol Weight 168.57 g/mol
Molecular Formula C313C2H9ClNO3
Exact Mass 168.033806 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lkcy6ePSKHK
Name 5-AMINO-[1,4-(C-13)2]-LAEVULINIC-ACID-HYDROCHLORIDE
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C5H9ClNO3
InChI InChI=1S/C5H9NO3.ClH/c6-3-4(7)1-2-5(8)9;/h1-3,6H2,(H,8,9);1H/p-1/i4+1,5+1;
InChIKey ZLHFONARZHCSET-BIZAMFJHSA-M
Literature Reference Author R.A.VISHWAKARMA,S.BALACHANDRAN,A.I.D.ALANINE,N.P.J.STAMFORD, F.KIUCHI,F.J.LEEPER,
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2893(1993)
Literature Reference DOI 10.1039/p19930002893
Molecular Weight 166.584 g/mol
Solvent D2O
Source File Reference UWCS18624