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(S)-2-AMINO-4-HEXYNOIC-ACID-METHYLESTER-HYDROCHLORIDE;HCL*H-BUG-OME
SpectraBase Compound ID JQyc6McWtYG
InChI InChI=1S/C7H11NO2.ClH/c1-3-4-5-6(8)7(9)10-2;/h6H,5,8H2,1-2H3;1H/t6-;/m0./s1
InChIKey YYKUCKQGQYQBGW-RGMNGODLSA-N
Mol Weight 177.63 g/mol
Molecular Formula C7H12ClNO2
Exact Mass 177.055656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID PPx0AhmX6P
Name (S)-2-AMINO-4-HEXYNOIC-ACID-METHYLESTER-HYDROCHLORIDE;HCL*H-BUG-OME
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H12ClNO2
InChI InChI=1S/C7H11NO2.ClH/c1-3-4-5-6(8)7(9)10-2;/h6H,5,8H2,1-2H3;1H/t6-;/m0./s1
InChIKey YYKUCKQGQYQBGW-RGMNGODLSA-N
Literature Reference Author N.GHALIT,A.J.POOT,A.FUERSTNER,D.T.S.RIJKERS,R.M.J.LISKAMP
Literature Reference Citation ORG.LETTERS,7,2961(2005)
Literature Reference DOI 10.1021/ol0508781
Molecular Weight 177.631 g/mol
Sample ID 43085
Solvent CD3OD