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1H-Pyrrole-3-carboxylic acid, 4-(2-chloroethyl)-5-(4-nitrophenyl)-2-phenyl-, methyl ester
SpectraBase Compound ID 3utKeJvXo42
InChI InChI=1S/C20H17ClN2O4/c1-27-20(24)17-16(11-12-21)18(14-7-9-15(10-8-14)23(25)26)22-19(17)13-5-3-2-4-6-13/h2-10,22H,11-12H2,1H3
InChIKey UCMVZYBEEKLVCY-UHFFFAOYSA-N
Mol Weight 384.82 g/mol
Molecular Formula C20H17ClN2O4
Exact Mass 384.087685 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IdfMOrq3DlL
Name 1H-Pyrrole-3-carboxylic acid, 4-(2-chloroethyl)-5-(4-nitrophenyl)-2-phenyl-, methyl ester
Alternate Name(s) Methyl 2-phenyl-4-(2'-chloroethyl)-5-(4''-nitrophenyl)-pyrrole-3-carboxylate Methyl 2-phenyl-4-(2-chloroethyl)-5-(4-nitrophenyl)-pyrrole-3-carboxylate Methyl 4-(2-chloroethyl)-5-(4-nitrophenyl)-2-phenyl-1H-pyrrole-3-carboxylate
CAS Registry Number 124691-70-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17ClN2O4
InChI InChI=1S/C20H17ClN2O4/c1-27-20(24)17-16(11-12-21)18(14-7-9-15(10-8-14)23(25)26)22-19(17)13-5-3-2-4-6-13/h2-10,22H,11-12H2,1H3
InChIKey UCMVZYBEEKLVCY-UHFFFAOYSA-N
Molecular Weight 384.819 g/mol
SMILES [nH]1c(c(c(c1-c1ccccc1)C(=O)OC)CCCl)-c1ccc(N(=O)=O)cc1
SPLASH splash10-0006-0497000000-0b8a544d59fa5d65bc33
Source of Spectrum F-45-2967-38
Wiley ID 1361449