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Trans-1,2-bis(5-(benzyloxycarbonyl)-4-(2-methoxycarbonylethyl)-3-methyl-2-pyrrolyl)ethene

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Trans-1,2-bis(5-(benzyloxycarbonyl)-4-(2-methoxycarbonylethyl)-3-methyl-2-pyrrolyl)ethene
SpectraBase Compound ID DCvo1MAm0Bl
InChI InChI=1S/C36H38N2O8/c1-23-27(15-19-31(39)43-3)33(35(41)45-21-25-11-7-5-8-12-25)37-29(23)17-18-30-24(2)28(16-20-32(40)44-4)34(38-30)36(42)46-22-26-13-9-6-10-14-26/h5-14,17-18,37-38H,15-16,19-22H2,1-4H3/b18-17+
InChIKey SLACRIMYXUTNEJ-ISLYRVAYSA-N
Mol Weight 626.7 g/mol
Molecular Formula C36H38N2O8
Exact Mass 626.262816 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8OncK3E0We4
Name Trans-1,2-bis(5-(benzyloxycarbonyl)-4-(2-methoxycarbonylethyl)-3-methyl-2-pyrrolyl)ethene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 626.262816184 u
Formula C36H38N2O8
InChI InChI=1S/C36H38N2O8/c1-23-27(15-19-31(39)43-3)33(35(41)45-21-25-11-7-5-8-12-25)37-29(23)17-18-30-24(2)28(16-20-32(40)44-4)34(38-30)36(42)46-22-26-13-9-6-10-14-26/h5-14,17-18,37-38H,15-16,19-22H2,1-4H3/b18-17+
InChIKey SLACRIMYXUTNEJ-ISLYRVAYSA-N
Molecular Weight 626.706 g/mol
SMILES C=1(NC(\C=C\C=2NC(C(OCC=3C=CC=CC3)=O)=C(C2C)CCC(=O)OC)=C(C1CCC(=O)OC)C)C(OCC1=CC=CC=C1)=O