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4-[(N-(4-tert-butylbenzoyl)anilino)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester
SpectraBase Compound ID IdlYVklovyy
InChI InChI=1S/C27H32N2O3/c1-7-32-26(31)24-18(2)23(19(3)28-24)17-29(22-11-9-8-10-12-22)25(30)20-13-15-21(16-14-20)27(4,5)6/h8-16,28H,7,17H2,1-6H3
InChIKey LJCKTRBMQMLEGN-UHFFFAOYSA-N
Mol Weight 432.6 g/mol
Molecular Formula C27H32N2O3
Exact Mass 432.241293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 22LWHX27brw
Name 4-[(N-(4-tert-butylbenzoyl)anilino)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H32N2O3
InChI InChI=1S/C27H32N2O3/c1-7-32-26(31)24-18(2)23(19(3)28-24)17-29(22-11-9-8-10-12-22)25(30)20-13-15-21(16-14-20)27(4,5)6/h8-16,28H,7,17H2,1-6H3
InChIKey LJCKTRBMQMLEGN-UHFFFAOYSA-N
Molecular Weight 432.564 g/mol
SMILES [nH]1c(c(c(c1C)CN(C(c1ccc(C(C)(C)C)cc1)=O)c1ccccc1)C)C(=O)OCC
SPLASH splash10-001i-2900000000-70e9c965cf4722b35c3b
Synonyms 4-[(N-[(4-tert-butylphenyl)-oxomethyl]anilino)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Ethyl 4-[(N-(4-tert-butylbenzoyl)anilino)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Ethyl 4-[[(4-tert-butylphenyl)carbonyl-phenyl-amino]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Wiley ID 1464702