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5,5'-di(Benzyloxycarbonyl)-3,3'-diethyl-4,4'-dimethyl-2,2'-dipyrrylmethane
SpectraBase Compound ID JCn6qJnngpb
InChI InChI=1S/C31H34N2O4/c1-5-24-20(3)28(30(34)36-18-22-13-9-7-10-14-22)32-26(24)17-27-25(6-2)21(4)29(33-27)31(35)37-19-23-15-11-8-12-16-23/h7-16,32-33H,5-6,17-19H2,1-4H3
InChIKey PEMZHJXFRVUICU-UHFFFAOYSA-N
Mol Weight 498.6 g/mol
Molecular Formula C31H34N2O4
Exact Mass 498.251858 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5beocOFkxeQ
Name 5,5'-di(Benzyloxycarbonyl)-3,3'-diethyl-4,4'-dimethyl-2,2'-dipyrrylmethane
Comments Computed using HOSE algorithm
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Exact Mass 498.251857579 u
Formula C31H34N2O4
InChI InChI=1S/C31H34N2O4/c1-5-24-20(3)28(30(34)36-18-22-13-9-7-10-14-22)32-26(24)17-27-25(6-2)21(4)29(33-27)31(35)37-19-23-15-11-8-12-16-23/h7-16,32-33H,5-6,17-19H2,1-4H3
InChIKey PEMZHJXFRVUICU-UHFFFAOYSA-N
Molecular Weight 498.623 g/mol
SMILES C=1(NC(CC=2NC(C(OCC3=CC=CC=C3)=O)=C(C2CC)C)=C(C1C)CC)C(OCC1=CC=CC=C1)=O