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METHYL-[N-2-(CHLORO-ETHANOYL)-4-(S)-(1-AMINOETHYL)]-BENZOATE
SpectraBase Compound ID G3cKAS1cK3w
InChI InChI=1S/C12H14ClNO3/c1-8(14-11(15)7-13)9-3-5-10(6-4-9)12(16)17-2/h3-6,8H,7H2,1-2H3,(H,14,15)/t8-/m0/s1
InChIKey AOEZYMWTHUKLER-QMMMGPOBSA-N
Mol Weight 255.7 g/mol
Molecular Formula C12H14ClNO3
Exact Mass 255.066221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ACsqjF1Dtlu
Name METHYL-[N-2-(CHLORO-ETHANOYL)-4-(S)-(1-AMINOETHYL)]-BENZOATE
Compound Number 11C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H14ClNO3
InChI InChI=1S/C12H14ClNO3/c1-8(14-11(15)7-13)9-3-5-10(6-4-9)12(16)17-2/h3-6,8H,7H2,1-2H3,(H,14,15)/t8-/m0/s1
InChIKey AOEZYMWTHUKLER-QMMMGPOBSA-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 255.701 g/mol
Solvent CDCl3
Source File Reference UWMP15152