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(S)-3-(3-BROMO-4-METHOXYPHENYL)-2-((N-TERT.-BUTYLCARBONYL)-(METHYL)-AMINO)-PROPANOIC_ACID;ROTAMER_1
SpectraBase Compound ID 4yX9wzgGlLA
InChI InChI=1S/C16H22BrNO5/c1-16(2,3)23-15(21)18(4)12(14(19)20)9-10-6-7-13(22-5)11(17)8-10/h6-8,12H,9H2,1-5H3,(H,19,20)/t12-/m0/s1
InChIKey LPHJOPIEIPBVJS-LBPRGKRZSA-N
Mol Weight 388.26 g/mol
Molecular Formula C16H22BrNO5
Exact Mass 387.068136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E7tvFsBQS6w
Name (S)-3-(3-BROMO-4-METHOXYPHENYL)-2-((N-TERT.-BUTYLCARBONYL)-(METHYL)-AMINO)-PROPANOIC_ACID;ROTAMER_1
Compound Number 12C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H22BrNO5
InChI InChI=1S/C16H22BrNO5/c1-16(2,3)23-15(21)18(4)12(14(19)20)9-10-6-7-13(22-5)11(17)8-10/h6-8,12H,9H2,1-5H3,(H,19,20)/t12-/m0/s1
InChIKey LPHJOPIEIPBVJS-LBPRGKRZSA-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 388.258 g/mol
Sample ID 41117
Solvent CDCl3