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12-E-BROMOISORUMBRIN

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12-E-BROMOISORUMBRIN
SpectraBase Compound ID 6TofrcKCufb
InChI InChI=1S/C20H20BrNO3/c1-14(18-13-19(24-3)15(2)20(23)25-18)9-7-5-4-6-8-10-17-16(21)11-12-22-17/h4-13,22H,1-3H3/b6-4+,7-5+,10-8+,14-9+
InChIKey KBQKGOONYFCSHH-NBWHIMRISA-N
Mol Weight 402.29 g/mol
Molecular Formula C20H20BrNO3
Exact Mass 401.062657 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BR2DkicnS1b
Name 12-E-BROMOISORUMBRIN
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H20BrNO3
InChI InChI=1S/C20H20BrNO3/c1-14(18-13-19(24-3)15(2)20(23)25-18)9-7-5-4-6-8-10-17-16(21)11-12-22-17/h4-13,22H,1-3H3/b6-4+,7-5+,10-8+,14-9+
InChIKey KBQKGOONYFCSHH-NBWHIMRISA-N
Literature Reference Author B.R.CLARK,E.LACEY,J.H.GILL,R.J.CAPON
Literature Reference Citation J.NAT.PROD.,70,665(2007)
Literature Reference DOI 10.1021/np0605283
Molecular Weight 402.288 g/mol
Sample ID 30187
Solvent DMSO-D6