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4-(2-Chloro-ethyl)-5-ethoxycarbonylmethyl-2-methyl-1-ureido-1H-pyrrole-3-carboxylic acid methylester
SpectraBase Compound ID 9PNOuJQlkPi
InChI InChI=1S/C14H20ClN3O5/c1-4-23-11(19)7-10-9(5-6-15)12(13(20)22-3)8(2)18(10)17-14(16)21/h4-7H2,1-3H3,(H3,16,17,21)
InChIKey VUTLSMNYRCIISV-UHFFFAOYSA-N
Mol Weight 345.78 g/mol
Molecular Formula C14H20ClN3O5
Exact Mass 345.109148 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ATd9vZh6y1K
Name 4-(2-Chloro-ethyl)-5-ethoxycarbonylmethyl-2-methyl-1-ureido-1H-pyrrole-3-carboxylic acid methylester
Alternate Name(s) Methyl 4-(2-chloroethyl)-5-(2-ethoxy-2-oxoethyl)-2-methyl-1-ureido-1H-pyrrole-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20ClN3O5
InChI InChI=1S/C14H20ClN3O5/c1-4-23-11(19)7-10-9(5-6-15)12(13(20)22-3)8(2)18(10)17-14(16)21/h4-7H2,1-3H3,(H3,16,17,21)
InChIKey VUTLSMNYRCIISV-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200800097
Molecular Weight 345.783 g/mol
SMILES N(C(=O)N)[n]1c(c(c(c1CC(=O)OCC)CCCl)C(=O)OC)C
SPLASH splash10-059j-1292000000-fe369f5897eeaffffd46
Source of Spectrum ASC-350-1331/SM23-3ak
Wiley ID 1766353