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(P)-5,8-Bis(benzyloxycarbonylamino)-1,12-dimethylbenzo[c]phenanthrene
SpectraBase Compound ID FP71SSSG3ff
InChI InChI=1S/C36H30N2O4/c1-23-11-9-17-28-30(37-35(39)41-21-25-13-5-3-6-14-25)19-27-20-31(38-36(40)42-22-26-15-7-4-8-16-26)29-18-10-12-24(2)33(29)34(27)32(23)28/h3-20H,21-22H2,1-2H3,(H,37,39)(H,38,40)
InChIKey OQGACEOJKMFWKM-UHFFFAOYSA-N
Mol Weight 554.6 g/mol
Molecular Formula C36H30N2O4
Exact Mass 554.220557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 48nIn7WiIym
Name (P)-5,8-Bis(benzyloxycarbonylamino)-1,12-dimethylbenzo[c]phenanthrene
Alternate Name(s) N-[1,12-dimethyl-5-(phenylmethoxycarbonylamino)-8-benzo[c]phenanthrenyl]carbamic acid (phenylmethyl) ester benzyl N-[1,12-dimethyl-5-(phenylmethoxycarbonylamino)benzo[c]phenanthren-8-yl]carbamate benzyl N-[5-(benzyloxycarbonylamino)-1,12-dimethyl-benzo[c]phenanthren-8-yl]carbamate (phenylmethyl) N-[1,12-dimethyl-5-(phenylmethoxycarbonylamino)benzo[c]phenanthren-8-yl]carbamate
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Formula C36H30N2O4
InChI InChI=1S/C36H30N2O4/c1-23-11-9-17-28-30(37-35(39)41-21-25-13-5-3-6-14-25)19-27-20-31(38-36(40)42-22-26-15-7-4-8-16-26)29-18-10-12-24(2)33(29)34(27)32(23)28/h3-20H,21-22H2,1-2H3,(H,37,39)(H,38,40)
InChIKey OQGACEOJKMFWKM-UHFFFAOYSA-N
Molecular Weight 554.646 g/mol
SMILES N(C(=O)OCc1ccccc1)c1c2c(c3c(cc(c4c3c(ccc4)C)NC(=O)OCc3ccccc3)c1)c(ccc2)C
SPLASH splash10-000i-0009100000-f3c88119a9078be0f77a
Source of Spectrum J-66-562-0
Wiley ID 1534226