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7b,8-Dihydro-8a-[(2-bromo-5-methoxyphenyl)methyl]-10-nitrobenz[e]acephenanathrylene
SpectraBase Compound ID DaOirVtbMb2
InChI InChI=1S/C28H20BrNO3/c1-33-20-10-12-26(29)18(14-20)16-28-15-17-13-19(30(31)32)9-11-21(17)23-6-4-7-24(27(23)28)22-5-2-3-8-25(22)28/h2-14H,15-16H2,1H3/t28-/m0/s1
InChIKey DFBKGQJRYUXRBC-NDEPHWFRSA-N
Mol Weight 498.38 g/mol
Molecular Formula C28H20BrNO3
Exact Mass 497.062657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FZNZJn85ABw
Name 7b,8-Dihydro-8a-[(2-bromo-5-methoxyphenyl)methyl]-10-nitrobenz[e]acephenanathrylene
Comments Less than 3 mono-isotopic peaks
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Formula C28H20BrNO3
InChI InChI=1S/C28H20BrNO3/c1-33-20-10-12-26(29)18(14-20)16-28-15-17-13-19(30(31)32)9-11-21(17)23-6-4-7-24(27(23)28)22-5-2-3-8-25(22)28/h2-14H,15-16H2,1H3/t28-/m0/s1
InChIKey DFBKGQJRYUXRBC-NDEPHWFRSA-N
Molecular Weight 498.376 g/mol
SMILES [C@]12(c3c(cccc3-c3c(C1)cc(N(=O)=O)cc3)-c1c2cccc1)Cc1c(ccc(c1)OC)Br
SPLASH splash10-0udi-0090000000-7bc7a4f68dccb4c23ad2
Source of Spectrum J-62-1290-20
Wiley ID 1398410