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N-(4'-Methyl-2'-bromophenyl)-5-nitro-7-bromo-4-methyl-5,7a-epoxy-3a,4,5,6,7,7a-hexahydro-isoindoline
SpectraBase Compound ID KijuiY2KhFf
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
InChIKey LQERPLQPBZRIJY-UHFFFAOYSA-N
Mol Weight 446.14 g/mol
Molecular Formula C16H18Br2N2O3
Exact Mass 443.968418 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 81j9NRISYCC
Name N-(4'-Methyl-2'-bromophenyl)-5-nitro-7-bromo-4-methyl-5,7a-epoxy-3a,4,5,6,7,7a-hexahydro-isoindoline
Alternate Name(s) 9-Bromo-3-(2-bromo-4-methylphenyl)-6-methyl-7-nitro-10-oxa-3-azatricyclo[5.2.1.0(1,5)]decane
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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
InChIKey LQERPLQPBZRIJY-UHFFFAOYSA-N
Molecular Weight 446.139 g/mol
SMILES C12(OC3(CN(CC3C2C)c2c(cc(cc2)C)Br)C(C1)Br)N(=O)=O
SPLASH splash10-0002-0004900000-3070b2e84cd9e6853678
Source of Spectrum Y-39-284-9
Wiley ID 1528419