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(S)-METHYL_2-((N-TERT.-BUTYLCARBONYL)-(METHYL)-AMINO)-3-(3,5-DIBROMO-4-METHOXYPHENYL)-PROPANOATE;ROTAMER_1
SpectraBase Compound ID 20rMfnZLK3D
InChI InChI=1S/C17H23Br2NO5/c1-17(2,3)25-16(22)20(4)13(15(21)24-6)9-10-7-11(18)14(23-5)12(19)8-10/h7-8,13H,9H2,1-6H3/t13-/m0/s1
InChIKey KYMDSZXBHJBKLK-ZDUSSCGKSA-N
Mol Weight 481.18 g/mol
Molecular Formula C17H23Br2NO5
Exact Mass 478.994299 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E2uehDHJuOs
Name (S)-METHYL_2-((N-TERT.-BUTYLCARBONYL)-(METHYL)-AMINO)-3-(3,5-DIBROMO-4-METHOXYPHENYL)-PROPANOATE;ROTAMER_2
Compound Number 12B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H23Br2NO5
InChI InChI=1S/C17H23Br2NO5/c1-17(2,3)25-16(22)20(4)13(15(21)24-6)9-10-7-11(18)14(23-5)12(19)8-10/h7-8,13H,9H2,1-6H3/t13-/m0/s1
InChIKey KYMDSZXBHJBKLK-ZDUSSCGKSA-N
Literature Reference Author S.K.KOTTAKOTA,D.EVANGELOPOULOS,A.ALNIMR,S.BHAKTA,T.D.MCHUGH, M.GRAY,P.W.GROUNDWAT
Literature Reference Citation J.NAT.PROD.,75,1090(2012)
Literature Reference DOI 10.1021/np300102z
Molecular Weight 481.181 g/mol
Sample ID 41116
Solvent CDCl3