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CLAVATADINE_E;(2-E)-3-(3-BROMO-4-HYDROXYPHENYL)-N-(4-CARBAMIDAMIDOBUTYL)-2-(HYDROXYIMINO)-PROPANAMIDE
SpectraBase Compound ID ILbTMCziFEj
InChI InChI=1S/C14H20BrN5O3/c15-10-7-9(3-4-12(10)21)8-11(20-23)13(22)18-5-1-2-6-19-14(16)17/h3-4,7,21,23H,1-2,5-6,8H2,(H,18,22)(H4,16,17,19)/b20-11-
InChIKey FHRJNEDPVPOFPW-JAIQZWGSSA-N
Mol Weight 386.25 g/mol
Molecular Formula C14H20BrN5O3
Exact Mass 385.074953 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E0nzcpLI5Pm
Name CLAVATADINE_E;(2-E)-3-(3-BROMO-4-HYDROXYPHENYL)-N-(4-CARBAMIDAMIDOBUTYL)-2-(HYDROXYIMINO)-PROPANAMIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H19BrN5O3
InChI InChI=1S/C14H20BrN5O3/c15-10-7-9(3-4-12(10)21)8-11(20-23)13(22)18-5-1-2-6-19-14(16)17/h3-4,7,21,23H,1-2,5-6,8H2,(H,18,22)(H4,16,17,19)/b20-11-
InChIKey FHRJNEDPVPOFPW-JAIQZWGSSA-N
Literature Reference Author M.S.BUCHANAN,A.R.CARROLL,D.WESSLING,M.JOBLING,V.M.AVERY,R.A. DAVIS,Y.FENG,J.N.A.H
Literature Reference Citation J.NAT.PROD.,72,973(2009)
Literature Reference DOI 10.1021/np8008013
Molecular Weight 385.241 g/mol
Sample ID 32641
Solvent DMSO-D6