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(M)-5-Aminomethyl-8-(t-butoxycarbonylaminomethyl)-1,12-dimethylbenzo[c]phenanthrene
SpectraBase Compound ID 9RrRragyvKp
InChI InChI=1S/C27H30N2O2/c1-16-8-6-10-21-19(14-28)12-18-13-20(15-29-26(30)31-27(3,4)5)22-11-7-9-17(2)24(22)25(18)23(16)21/h6-13H,14-15,28H2,1-5H3,(H,29,30)
InChIKey DYJBDRAWZHWJDM-UHFFFAOYSA-N
Mol Weight 414.55 g/mol
Molecular Formula C27H30N2O2
Exact Mass 414.230728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8rT9AobAQj4
Name (M)-5-Aminomethyl-8-(t-butoxycarbonylaminomethyl)-1,12-dimethylbenzo[c]phenanthrene
Comments Less than 3 mono-isotopic peaks
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Formula C27H30N2O2
InChI InChI=1S/C27H30N2O2/c1-16-8-6-10-21-19(14-28)12-18-13-20(15-29-26(30)31-27(3,4)5)22-11-7-9-17(2)24(22)25(18)23(16)21/h6-13H,14-15,28H2,1-5H3,(H,29,30)
InChIKey DYJBDRAWZHWJDM-UHFFFAOYSA-N
Molecular Weight 414.549 g/mol
SMILES NCc1c2c(c3c(cc(CNC(OC(C)(C)C)=O)c4c3c(ccc4)C)c1)c(ccc2)C
SPLASH splash10-0bt9-0007900000-e26a98781e007ded432d
Source of Spectrum KD-13-1047-0
Wiley ID 1635295