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7b,8-Dihydro-8a-[(2-bromophenyl)methyl]-10-nitrobenz[e]acephenanathrylene
SpectraBase Compound ID 3rCd5eJm3WY
InChI InChI=1S/C27H18BrNO2/c28-25-11-4-1-6-17(25)15-27-16-18-14-19(29(30)31)12-13-20(18)22-8-5-9-23(26(22)27)21-7-2-3-10-24(21)27/h1-14H,15-16H2/t27-/m1/s1
InChIKey LDGVSYUDRMHMJX-HHHXNRCGSA-N
Mol Weight 468.35 g/mol
Molecular Formula C27H18BrNO2
Exact Mass 467.052092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HI1XtSptz3s
Name 7b,8-Dihydro-8a-[(2-bromophenyl)methyl]-10-nitrobenz[e]acephenanathrylene
Comments Less than 3 mono-isotopic peaks
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Formula C27H18BrNO2
InChI InChI=1S/C27H18BrNO2/c28-25-11-4-1-6-17(25)15-27-16-18-14-19(29(30)31)12-13-20(18)22-8-5-9-23(26(22)27)21-7-2-3-10-24(21)27/h1-14H,15-16H2/t27-/m1/s1
InChIKey LDGVSYUDRMHMJX-HHHXNRCGSA-N
Molecular Weight 468.350 g/mol
SMILES [C@]12(c3c(cccc3-c3c(C1)cc(N(=O)=O)cc3)-c1c2cccc1)Cc1c(Br)cccc1
SPLASH splash10-0udi-0090000000-d997136dac1c95beb3e4
Source of Spectrum J-62-1290-19
Synonyms (7bS)-7b-(2-bromobenzyl)-10-nitro-7b,8-dihydrobenzo[e]acephenanthrylene
Wiley ID 1392201