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Benzoic acid, 2-[[4-ethyl-5-[(4-ethyl-1,5-dihydro-3-methyl-5-oxo-2H-pyrrol-2-yliden e)methyl]-3-methyl-1H-pyrrol-2-yl]azo]-, ethyl ester
SpectraBase Compound ID LPOHtxmLOu4
InChI InChI=1S/C24H28N4O3/c1-6-16-15(5)22(25-21(16)13-20-14(4)17(7-2)23(29)26-20)28-27-19-12-10-9-11-18(19)24(30)31-8-3/h9-13,25H,6-8H2,1-5H3,(H,26,29)/b20-13-,28-27+
InChIKey PZUHQWHNYISVRH-KJSQFUGVSA-N
Mol Weight 420.51 g/mol
Molecular Formula C24H28N4O3
Exact Mass 420.216141 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8IkL7jpR030
Name Benzoic acid, 2-[[4-ethyl-5-[(4-ethyl-1,5-dihydro-3-methyl-5-oxo-2H-pyrrol-2-yliden e)methyl]-3-methyl-1H-pyrrol-2-yl]azo]-, ethyl ester
CAS Registry Number 62290-67-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H28N4O3
InChI InChI=1S/C24H28N4O3/c1-6-16-15(5)22(25-21(16)13-20-14(4)17(7-2)23(29)26-20)28-27-19-12-10-9-11-18(19)24(30)31-8-3/h9-13,25H,6-8H2,1-5H3,(H,26,29)/b20-13-,28-27+
InChIKey PZUHQWHNYISVRH-KJSQFUGVSA-N
Molecular Weight 420.513 g/mol
SMILES [nH]1c(\C=C/2NC(C(=C2C)CC)=O)c(c(C)c1\N=N\c1c(C(=O)OCC)cccc1)CC
SPLASH splash10-00di-0102900000-0d3e5ab166203ea641e0
Source of Spectrum KO-3-158-2
Synonyms 2-(o-ethoxycarbonylphenylazo)-3-methyl-4-ethyl-5-((2,5-dihydro-3-methyl-4-ethyl-5-oxo-2-pyrrolylidene)methyl)pyrrole Ethyl 2-((E)-{4-ethyl-5-[(Z)-(4-ethyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-3-methyl-1H-pyrrol-2-yl}diazenyl)benzoate
Wiley ID 1378001