For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-[1-(4-chloro-2-nitro-phenyl)pyrrol-2-yl]-1H-pyrrole-2,4-dicarboxylic acid diethyl ester
SpectraBase Compound ID WPDn1qxoGJ
InChI InChI=1S/C20H18ClN3O6/c1-3-29-19(25)13-11-22-18(20(26)30-4-2)17(13)15-6-5-9-23(15)14-8-7-12(21)10-16(14)24(27)28/h5-11,22H,3-4H2,1-2H3
InChIKey KYVDRZYFGQBROF-UHFFFAOYSA-N
Mol Weight 431.83 g/mol
Molecular Formula C20H18ClN3O6
Exact Mass 431.088413 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID rQVAtA3OGs
Name 3-[1-(4-chloro-2-nitro-phenyl)pyrrol-2-yl]-1H-pyrrole-2,4-dicarboxylic acid diethyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18ClN3O6
InChI InChI=1S/C20H18ClN3O6/c1-3-29-19(25)13-11-22-18(20(26)30-4-2)17(13)15-6-5-9-23(15)14-8-7-12(21)10-16(14)24(27)28/h5-11,22H,3-4H2,1-2H3
InChIKey KYVDRZYFGQBROF-UHFFFAOYSA-N
Molecular Weight 431.832 g/mol
SMILES [nH]1cc(c(c1C(=O)OCC)-c1[n](-c2c(N(=O)=O)cc(cc2)Cl)ccc1)C(=O)OCC
SPLASH splash10-001l-0034900000-028764a61f5739d3c8e2
Source of Spectrum Y-32-1706-4
Synonyms 3-[1-(4-chloro-2-nitrophenyl)-2-pyrrolyl]-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Diethyl 3-[1-(4-chloranyl-2-nitro-phenyl)pyrrol-2-yl]-1H-pyrrole-2,4-dicarboxylate Diethyl 3-[1-(4-chloro-2-nitro-phenyl)pyrrol-2-yl]-1H-pyrrole-2,4-dicarboxylate
Wiley ID 1381921