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Ethyl 1-(3-chlorophenyl)-2,5-dimethyl-4-phenyl-1H-pyrrole-3-carboxylate
SpectraBase Compound ID 62i0vWYMdmE
InChI InChI=1S/C21H20ClNO2/c1-4-25-21(24)20-15(3)23(18-12-8-11-17(22)13-18)14(2)19(20)16-9-6-5-7-10-16/h5-13H,4H2,1-3H3
InChIKey GRXJAPPBJWAFOF-UHFFFAOYSA-N
Mol Weight 353.85 g/mol
Molecular Formula C21H20ClNO2
Exact Mass 353.118257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K4hOnNySYxq
Name Ethyl 1-(3-chlorophenyl)-2,5-dimethyl-4-phenyl-1H-pyrrole-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20ClNO2
InChI InChI=1S/C21H20ClNO2/c1-4-25-21(24)20-15(3)23(18-12-8-11-17(22)13-18)14(2)19(20)16-9-6-5-7-10-16/h5-13H,4H2,1-3H3
InChIKey GRXJAPPBJWAFOF-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo102545m
Molecular Weight 353.849 g/mol
SMILES c1(C(OCC)=O)c(C)[n](c(C)c1-c1ccccc1)-c1cc(ccc1)Cl
SPLASH splash10-00lv-3920000000-ce2857d92592660db904
Source of Spectrum J-76-2152-6kc
Synonyms 1-(3-Chlorophenyl)-2,5-dimethyl-4-phenyl-3-pyrrolecarboxylic acid ethyl ester Ethyl 1-(3-chlorophenyl)-2,5-dimethyl-4-phenylpyrrole-3-carboxylate Ethyl 1-(3-chlorophenyl)-2,5-dimethyl-4-phenyl-pyrrole-3-carboxylate
Wiley ID 1744724