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S-4-(1-AMINOETHYL)-BENZOIC-ACID
SpectraBase Compound ID H5TF4XoseNj
InChI InChI=1S/C9H11NO2/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-6H,10H2,1H3,(H,11,12)/t6-/m1/s1
InChIKey NDMBVGSUFFPAFE-ZCFIWIBFSA-N
Mol Weight 165.19 g/mol
Molecular Formula C9H11NO2
Exact Mass 165.078979 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JspkwnzK7HG
Name S-4-(1-AMINOETHYL)-BENZOIC-ACID
Compound Number 11A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H11NO2
InChI InChI=1S/C9H11NO2/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-6H,10H2,1H3,(H,11,12)/t6-/m1/s1
InChIKey NDMBVGSUFFPAFE-ZCFIWIBFSA-N
Literature Reference Author R.S.DICKINS,J.A.K.HOWARD,C.L.MAUPIN,J.M.MOLONEY,D.PARKER,J.P .RIEHL,G.SILIGARDI,J
Literature Reference Citation CHEM.EUR.J.,5,1095(1999)
Literature Reference DOI 10.1002/(sici)1521-3765(19990301)5:3<1095::aid-chem1095>3.0.co;2-c
Molecular Weight 165.192 g/mol
Solvent CD3OD
Source File Reference UWMP15150