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4-(2-Chloro-ethyl)-5-ethoxycarbonylmethyl-2-methyl-1-ureido-1H-pyrrole-3-carboxylic acid ethylester
SpectraBase Compound ID C0z7kEaDCtS
InChI InChI=1S/C15H22ClN3O5/c1-4-23-12(20)8-11-10(6-7-16)13(14(21)24-5-2)9(3)19(11)18-15(17)22/h4-8H2,1-3H3,(H3,17,18,22)
InChIKey ZQJGKUGPPXZSDR-UHFFFAOYSA-N
Mol Weight 359.81 g/mol
Molecular Formula C15H22ClN3O5
Exact Mass 359.124799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2l3olCwc1pf
Name 4-(2-Chloro-ethyl)-5-ethoxycarbonylmethyl-2-methyl-1-ureido-1H-pyrrole-3-carboxylic acid ethylester
Alternate Name(s) Ethyl 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 C15H22ClN3O5
InChI InChI=1S/C15H22ClN3O5/c1-4-23-12(20)8-11-10(6-7-16)13(14(21)24-5-2)9(3)19(11)18-15(17)22/h4-8H2,1-3H3,(H3,17,18,22)
InChIKey ZQJGKUGPPXZSDR-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200800097
Molecular Weight 359.810 g/mol
SMILES N(C(=O)N)[n]1c(c(c(c1CC(=O)OCC)CCCl)C(=O)OCC)C
SPLASH splash10-0pi9-1189000000-104d8ffb7df9a8cb099f
Source of Spectrum ASC-350-1331/SM23-3aj
Wiley ID 1766352