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1H-Pyrrole-3-propanoic acid, 5-[[5-[[2-(ethoxycarbonyl)phenyl]azo]-4-ethyl-3-methyl-1H-pyrrol-2-yl]methylene]-2,5-dihydro-4-methyl-2-oxo-, methyl ester

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1H-Pyrrole-3-propanoic acid, 5-[[5-[[2-(ethoxycarbonyl)phenyl]azo]-4-ethyl-3-methyl-1H-pyrrol-2-yl]methylene]-2,5-dihydro-4-methyl-2-oxo-, methyl ester
SpectraBase Compound ID HUWHzpqlnhm
InChI InChI=1S/C26H30N4O5/c1-6-17-15(3)21(14-22-16(4)18(25(32)28-22)12-13-23(31)34-5)27-24(17)30-29-20-11-9-8-10-19(20)26(33)35-7-2/h8-11,14,27H,6-7,12-13H2,1-5H3,(H,28,32)/b22-14-,30-29+
InChIKey IROWCLZFAXFSSW-RWCRXPETSA-N
Mol Weight 478.55 g/mol
Molecular Formula C26H30N4O5
Exact Mass 478.22162 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GVl0i1AjpQb
Name 1H-Pyrrole-3-propanoic acid, 5-[[5-[[2-(ethoxycarbonyl)phenyl]azo]-4-ethyl-3-methyl-1H-pyrrol-2-yl]methylene]-2,5-dihydro-4-methyl-2-oxo-, methyl ester
CAS Registry Number 62290-64-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30N4O5
InChI InChI=1S/C26H30N4O5/c1-6-17-15(3)21(14-22-16(4)18(25(32)28-22)12-13-23(31)34-5)27-24(17)30-29-20-11-9-8-10-19(20)26(33)35-7-2/h8-11,14,27H,6-7,12-13H2,1-5H3,(H,28,32)/b22-14-,30-29+
InChIKey IROWCLZFAXFSSW-RWCRXPETSA-N
Molecular Weight 478.549 g/mol
SMILES [nH]1c(\C=C/2C(=C(C(N2)=O)CCC(=O)OC)C)c(c(CC)c1\N=N\c1c(C(=O)OCC)cccc1)C
SPLASH splash10-004i-0200900000-453364f7dbede2ef30f6
Source of Spectrum KO-3-158-2
Synonyms 2-(o-ethoxycarbonylphenylazo)-3-methyl-4-ethyl-5-((2,5-dihydro-3-methyl-4-(2-methoxycarbonylethyl)-5-oxo-2-pyrrolylidene)methyl)pyrrole Ethyl 2-[(E)-(3-ethyl-5-{(Z)-[4-(3-methoxy-3-oxopropyl)-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-2-yl)diazenyl]benzoate
Wiley ID 1394744