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12-CHLORO-11-HYDROXYDIBROMOISOPHAKELLIN
SpectraBase Compound ID 4soqPQW8FgY
InChI InChI=1S/C11H10Br2ClN5O2/c12-4-3-5(16-8(4)13)9(21)19-1-2(14)7(20)11(19)6(3)17-10(15)18-11/h2,6-7,16,20H,1H2,(H3,15,17,18)/t2-,6+,7-,11?/m0/s1
InChIKey HWUWOVNYRVOXGA-QEGMMKDGSA-N
Mol Weight 439.5 g/mol
Molecular Formula C11H10Br2ClN5O2
Exact Mass 436.888978 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 824va0rIrFn
Name 12-CHLORO-11-HYDROXYDIBROMOISOPHAKELLIN
CAS Registry Number 389120-65-4
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H10Br2ClN5O2
InChI InChI=1S/C11H10Br2ClN5O2/c12-4-3-5(16-8(4)13)9(21)19-1-2(14)7(20)11(19)6(3)17-10(15)18-11/h2,6-7,16,20H,1H2,(H3,15,17,18)/t2-,6+,7-,11?/m0/s1
InChIKey HWUWOVNYRVOXGA-QEGMMKDGSA-N
Literature Reference Author S.TSUKAMOTO,K.TANE,T.OHTA,S.MATSUNAGA,N.FUSETANI,R.W.M.VANSO EST
Literature Reference Citation J.NAT.PROD.,64,1576(2001)
Literature Reference DOI 10.1021/np010280b
Molecular Weight 439.494 g/mol
Solvent DMSO-D6