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(M)-8-Benzyloxycarbonylaminomethyl-5-(t-butoxycarbonylaminomethyl)-1,12-dimethylbenzo[c]phenanthrene
SpectraBase Compound ID Dr45BQvBLSj
InChI InChI=1S/C35H36N2O4/c1-22-11-9-15-28-26(19-36-33(38)40-21-24-13-7-6-8-14-24)17-25-18-27(20-37-34(39)41-35(3,4)5)29-16-10-12-23(2)31(29)32(25)30(22)28/h6-18H,19-21H2,1-5H3,(H,36,38)(H,37,39)
InChIKey DXMWXLVSBRYIOI-UHFFFAOYSA-N
Mol Weight 548.7 g/mol
Molecular Formula C35H36N2O4
Exact Mass 548.267508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ADhLvHLqVkg
Name (M)-8-Benzyloxycarbonylaminomethyl-5-(t-butoxycarbonylaminomethyl)-1,12-dimethylbenzo[c]phenanthrene
Comments Less than 3 mono-isotopic peaks
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Formula C35H36N2O4
InChI InChI=1S/C35H36N2O4/c1-22-11-9-15-28-26(19-36-33(38)40-21-24-13-7-6-8-14-24)17-25-18-27(20-37-34(39)41-35(3,4)5)29-16-10-12-23(2)31(29)32(25)30(22)28/h6-18H,19-21H2,1-5H3,(H,36,38)(H,37,39)
InChIKey DXMWXLVSBRYIOI-UHFFFAOYSA-N
Molecular Weight 548.683 g/mol
SMILES N(C(=O)OCc1ccccc1)Cc1c2c(c3c(cc(CNC(OC(C)(C)C)=O)c4c3c(ccc4)C)c1)c(ccc2)C
SPLASH splash10-0002-0000910000-77194ebb3025f79a9fac
Source of Spectrum KD-13-1048-0
Wiley ID 1635265