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CLAVATADINE_C;N-(4-{[AMINO-(IMINO)-METHYL]-AMINO}-BUTYL)-7,9-DIBROMO-8-OXO-1-OXA-2-AZASPIRO-[4.5]-DECA-2,6,9-TRIENE-3-CARBOXAMIDE
SpectraBase Compound ID GTlWsH0kLZF
InChI InChI=1S/C14H17Br2N5O3/c15-8-5-14(6-9(16)11(8)22)7-10(21-24-14)12(23)19-3-1-2-4-20-13(17)18/h5-6H,1-4,7H2,(H,19,23)(H4,17,18,20)
InChIKey DMNVUXRRFZWSMP-UHFFFAOYSA-N
Mol Weight 463.13 g/mol
Molecular Formula C14H17Br2N5O3
Exact Mass 460.969815 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID zVH9pqeNku
Name CLAVATADINE_C;N-(4-{[AMINO-(IMINO)-METHYL]-AMINO}-BUTYL)-7,9-DIBROMO-8-OXO-1-OXA-2-AZASPIRO-[4.5]-DECA-2,6,9-TRIENE-3-CARBOXAMIDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H17Br2N5O3
InChI InChI=1S/C14H17Br2N5O3/c15-8-5-14(6-9(16)11(8)22)7-10(21-24-14)12(23)19-3-1-2-4-20-13(17)18/h5-6H,1-4,7H2,(H,19,23)(H4,17,18,20)
InChIKey DMNVUXRRFZWSMP-UHFFFAOYSA-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 463.129 g/mol
Sample ID 32639
Solvent DMSO-D6