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2,5-Bis(5-benzyloxycarbonyl-3,4-dimethylpyrrol-2-ylmethyl)-3-ethoxycarbonyl-4-methylpyrrole
SpectraBase Compound ID A40ohh3obJY
InChI InChI=1S/C38H41N3O6/c1-7-45-36(42)33-26(6)31(18-29-22(2)24(4)34(40-29)37(43)46-20-27-14-10-8-11-15-27)39-32(33)19-30-23(3)25(5)35(41-30)38(44)47-21-28-16-12-9-13-17-28/h8-17,39-41H,7,18-21H2,1-6H3
InChIKey NNAUZLQDVDDTOT-UHFFFAOYSA-N
Mol Weight 635.8 g/mol
Molecular Formula C38H41N3O6
Exact Mass 635.299536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Tr6t5M6mvs
Name 2,5-Bis(5-benzyloxycarbonyl-3,4-dimethylpyrrol-2-ylmethyl)-3-ethoxycarbonyl-4-methylpyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H41N3O6
InChI InChI=1S/C38H41N3O6/c1-7-45-36(42)33-26(6)31(18-29-22(2)24(4)34(40-29)37(43)46-20-27-14-10-8-11-15-27)39-32(33)19-30-23(3)25(5)35(41-30)38(44)47-21-28-16-12-9-13-17-28/h8-17,39-41H,7,18-21H2,1-6H3
InChIKey NNAUZLQDVDDTOT-UHFFFAOYSA-N
Molecular Weight 635.761 g/mol
SMILES [nH]1c(c(c(c1Cc1c(c(c([nH]1)C(OCc1ccccc1)=O)C)C)C(=O)OCC)C)Cc1[nH]c(c(c1C)C)C(OCc1ccccc1)=O
SPLASH splash10-000f-8001950000-f2ffc3413b0bbefb9d5d
Source of Spectrum H1-41-2660-6
Synonyms benzyl 5-{[5-({5-[(benzyloxy)carbonyl]-3,4-dimethyl-1H-pyrrol-2-yl}methyl)-4-(ethoxycarbonyl)-3-methyl-1H-pyrrol-2-yl]methyl}-3,4-dimethyl-1H-pyrrole-2-carboxylate
Wiley ID 757381