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(2-ALPHA,3A-ALPHA,5-ALPHA,6-BETA,7A-ALPHA)-5,6-DIBROMOHEXAHYDRO-2-(4-NITROPHENYL)-1,3-BENZODIOXOLE
SpectraBase Compound ID BbXz2l4Zgjv
InChI InChI=1S/C13H13Br2NO4/c14-9-5-11-12(6-10(9)15)20-13(19-11)7-1-3-8(4-2-7)16(17)18/h1-4,9-13H,5-6H2/t9-,10-,11-,12+,13+/m1/s1
InChIKey MMSIHAMRPWUMNZ-KVSVUVNWSA-N
Mol Weight 407.06 g/mol
Molecular Formula C13H13Br2NO4
Exact Mass 404.921134 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ARCwCked3Po
Name (2-ALPHA,3A-ALPHA,5-ALPHA,6-BETA,7A-ALPHA)-5,6-DIBROMOHEXAHYDRO-2-(4-NITROPHENYL)-1,3-BENZODIOXOLE
Compound Number 38
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13Br2NO4
InChI InChI=1S/C13H13Br2NO4/c14-9-5-11-12(6-10(9)15)20-13(19-11)7-1-3-8(4-2-7)16(17)18/h1-4,9-13H,5-6H2/t9-,10-,11-,12+,13+/m1/s1
InChIKey MMSIHAMRPWUMNZ-KVSVUVNWSA-N
Literature Reference Author J.R.GILLARD,D.J.BURNELL
Literature Reference Citation CAN.J.CHEM.,70,1296(1992)
Literature Reference DOI 10.1139/v92-167
Molecular Weight 407.059 g/mol
Solvent PYRIDINE-D5
Source File Reference UWVP384