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N-(2-BROMO-4-METHYLPHENYL)-7-BROMO-4-METHYL-5-NITRO-5,7A-EPOXY-3A,4,5,6,7,7A-HEXAHYDRO-ISOINDOLINE
SpectraBase Compound ID 8JmCfFDMjlb
InChI InChI=1S/C16H18Br2N2O3/c1-9-3-4-13(12(17)5-9)19-7-11-10(2)16(20(21)22)6-14(18)15(11,8-19)23-16/h3-5,10-11,14H,6-8H2,1-2H3/t10-,11?,14+,15-,16-/m0/s1
InChIKey LQERPLQPBZRIJY-DWGZRWHMSA-N
Mol Weight 446.14 g/mol
Molecular Formula C16H18Br2N2O3
Exact Mass 443.968418 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2QBL8BpGyMv
Name N-(2-BROMO-4-METHYLPHENYL)-7-BROMO-4-METHYL-5-NITRO-5,7A-EPOXY-3A,4,5,6,7,7A-HEXAHYDRO-ISOINDOLINE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H18Br2N2O3
InChI InChI=1S/C16H18Br2N2O3/c1-9-3-4-13(12(17)5-9)19-7-11-10(2)16(20(21)22)6-14(18)15(11,8-19)23-16/h3-5,10-11,14H,6-8H2,1-2H3/t10-,11?,14+,15-,16-/m0/s1
InChIKey LQERPLQPBZRIJY-DWGZRWHMSA-N
Literature Reference Author A.D.MANCE,B.BOROVICKA,K.JAKOPCIC,G.PAVLOVIC,I.LEBAN
Literature Reference Citation J.HETCYCL.CHEM.,39,277(2002)
Literature Reference DOI 10.1002/jhet.5570390205
Molecular Weight 446.139 g/mol
Solvent ACETONE-D6
Source File Reference UWSI8548