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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5IngxtOyrNN
Name trans-1,2-Bis(5-(benzyloxycarbonyl)-4-(2-methoxycarbonylethyl)-3-methyl-2-pyrrolyl)ethene
Alternate Name(s) benzyl 5-{(E)-2-[5-[(benzyloxy)carbonyl]-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrol-2-yl]ethenyl}-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylate
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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 [nH]1c(\C=C\c2c(c(c([nH]2)C(OCc2ccccc2)=O)CCC(=O)OC)C)c(c(c1C(OCc1ccccc1)=O)CCC(=O)OC)C
SPLASH splash10-0006-9300002000-5762e12e82a136d071a9
Source of Spectrum J-61-8514-19
Wiley ID 1411893