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1H-Pyrrole-2-carboxylic acid, 5,5',5'',5'''-(1,3-phenylenedimethylidyne)tetrakis[3-ethyl-4-methyl-, tetraethyl ester
SpectraBase Compound ID 3vux1KDg2if
InChI InChI=1S/C48H62N4O8/c1-13-31-25(9)37(49-41(31)45(53)57-17-5)35(38-26(10)32(14-2)42(50-38)46(54)58-18-6)29-22-21-23-30(24-29)36(39-27(11)33(15-3)43(51-39)47(55)59-19-7)40-28(12)34(16-4)44(52-40)48(56)60-20-8/h21-24,35-36,49-52H,13-20H2,1-12H3
InChIKey HKGZOUDDRNPDND-UHFFFAOYSA-N
Mol Weight 823.0 g/mol
Molecular Formula C48H62N4O8
Exact Mass 822.456765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GjvrEUU12Lo
Name 1H-Pyrrole-2-carboxylic acid, 5,5',5'',5'''-(1,3-phenylenedimethylidyne)tetrakis[3-ethyl-4-methyl-, tetraethyl ester
CAS Registry Number 102586-94-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H62N4O8
InChI InChI=1S/C48H62N4O8/c1-13-31-25(9)37(49-41(31)45(53)57-17-5)35(38-26(10)32(14-2)42(50-38)46(54)58-18-6)29-22-21-23-30(24-29)36(39-27(11)33(15-3)43(51-39)47(55)59-19-7)40-28(12)34(16-4)44(52-40)48(56)60-20-8/h21-24,35-36,49-52H,13-20H2,1-12H3
InChIKey HKGZOUDDRNPDND-UHFFFAOYSA-N
Molecular Weight 823.044 g/mol
SMILES [nH]1c(c(c(c1C(c1cc(C(c2[nH]c(c(c2C)CC)C(=O)OCC)c2[nH]c(c(c2C)CC)C(=O)OCC)ccc1)c1[nH]c(c(c1C)CC)C(=O)OCC)C)CC)C(=O)OCC
SPLASH splash10-00gi-0000000960-5f214faa8f0314b3f666
Source of Spectrum C-112-9325-37
Synonyms 1,3-bis[bis[5-(ethoxycarbonyl)-4-ethyl-3-methyl-2-pyrryl]methyl]-benzene 1H-pyrrole-2-carboxylic acid, 5,5',5'',5'''-(1,3-phenylenedimethylidyne)tetrakis[3-ethyl-4-methyl-, tetraethyl ester Ethyl 5-[(3-{bis[5-(ethoxycarbonyl)-4-ethyl-3-methyl-1H-pyrrol-2-yl]methyl}phenyl)[5-(ethoxycarbonyl)-4-ethyl-3-methyl-1H-pyrrol-2-yl]methyl]-3-ethyl-4-methyl-1H-pyrrole-2-carboxylate
Wiley ID 1417460