For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(S)-2-((N-TERT.-BUTYLCARBONYL)-(METHYL)-AMINO)-3-(3,5-DIBROMO-4-METHOXYPHENYL)-PROPANOIC_ACID;ROTAMER_1
SpectraBase Compound ID GezY5eGuuA6
InChI InChI=1S/C16H21Br2NO5/c1-16(2,3)24-15(22)19(4)12(14(20)21)8-9-6-10(17)13(23-5)11(18)7-9/h6-7,12H,8H2,1-5H3,(H,20,21)/t12-/m0/s1
InChIKey BXJHSVXNDVXYMU-LBPRGKRZSA-N
Mol Weight 467.15 g/mol
Molecular Formula C16H21Br2NO5
Exact Mass 464.978649 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7anqRIx8gan
Name (S)-2-((N-TERT.-BUTYLCARBONYL)-(METHYL)-AMINO)-3-(3,5-DIBROMO-4-METHOXYPHENYL)-PROPANOIC_ACID;ROTAMER_2
Compound Number 12 D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H21Br2NO5
InChI InChI=1S/C16H21Br2NO5/c1-16(2,3)24-15(22)19(4)12(14(20)21)8-9-6-10(17)13(23-5)11(18)7-9/h6-7,12H,8H2,1-5H3,(H,20,21)/t12-/m0/s1
InChIKey BXJHSVXNDVXYMU-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 467.154 g/mol
Sample ID 41120
Solvent CDCl3