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1H-Pyrrole-3-propanoic acid, 5-[[3-ethenyl-5-[[2-(ethoxycarbonyl)phenyl]azo]-4-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-[[3-ethenyl-5-[[2-(ethoxycarbonyl)phenyl]azo]-4-methyl-1H-pyrrol-2- yl]methylene]-2,5-dihydro-4-methyl-2-oxo-, methyl ester
SpectraBase Compound ID B7YYffMRGd1
InChI InChI=1S/C26H28N4O5/c1-6-17-16(4)24(30-29-20-11-9-8-10-19(20)26(33)35-7-2)27-22(17)14-21-15(3)18(25(32)28-21)12-13-23(31)34-5/h6,8-11,14,27H,1,7,12-13H2,2-5H3,(H,28,32)/b21-14-,30-29+
InChIKey VMJQJBMFIMGEDR-DWGJLEHWSA-N
Mol Weight 476.53 g/mol
Molecular Formula C26H28N4O5
Exact Mass 476.20597 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FjyktvE6lPK
Name 1H-Pyrrole-3-propanoic acid, 5-[[3-ethenyl-5-[[2-(ethoxycarbonyl)phenyl]azo]-4-methyl-1H-pyrrol-2- yl]methylene]-2,5-dihydro-4-methyl-2-oxo-, methyl ester
CAS Registry Number 62290-65-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28N4O5
InChI InChI=1S/C26H28N4O5/c1-6-17-16(4)24(30-29-20-11-9-8-10-19(20)26(33)35-7-2)27-22(17)14-21-15(3)18(25(32)28-21)12-13-23(31)34-5/h6,8-11,14,27H,1,7,12-13H2,2-5H3,(H,28,32)/b21-14-,30-29+
InChIKey VMJQJBMFIMGEDR-DWGJLEHWSA-N
Molecular Weight 476.533 g/mol
SMILES [nH]1c(\C=C/2C(=C(C(N2)=O)CCC(=O)OC)C)c(c(C)c1\N=N\c1c(C(=O)OCC)cccc1)C=C
SPLASH splash10-004i-0300900000-55c70ea26dc56900057a
Source of Spectrum KO-3-158-2
Synonyms 2-(o-ethoxycarbonylphenylazo)-3-methyl-4-vinyl-5-((2,5-dihydro-3-methyl-4-(2'-methoxycarbonylethyl)-5-oxo-2-pyrrolylidene)methyl)pyrrole Ethyl 2-[(E)-(5-{(Z)-[4-(3-methoxy-3-oxopropyl)-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene]methyl}-3-methyl-4-vinyl-1H-pyrrol-2-yl)diazenyl]benzoate
Wiley ID 1394294