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1-(carbamoylamino)-4-chloro-2-(chloromethyl)-5-phenyl-3-pyrrolecarboxylic acid methyl ester
SpectraBase Compound ID 5Gqdv7WYcWX
InChI InChI=1S/C14H13Cl2N3O3/c1-22-13(20)10-9(7-15)19(18-14(17)21)12(11(10)16)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H3,17,18,21)
InChIKey XXNCIJQBDHCRLG-UHFFFAOYSA-N
Mol Weight 342.18 g/mol
Molecular Formula C14H13Cl2N3O3
Exact Mass 341.033397 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5HdbNduUfjO
Name 1-(carbamoylamino)-4-chloro-2-(chloromethyl)-5-phenyl-3-pyrrolecarboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13Cl2N3O3
InChI InChI=1S/C14H13Cl2N3O3/c1-22-13(20)10-9(7-15)19(18-14(17)21)12(11(10)16)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H3,17,18,21)
InChIKey XXNCIJQBDHCRLG-UHFFFAOYSA-N
Molecular Weight 342.182 g/mol
SMILES N([n]1c(c(C(=O)OC)c(c1-c1ccccc1)Cl)CCl)C(=O)N
SPLASH splash10-0a4i-0009000000-e2dc3e572eb3a7ac5d52
Source of Spectrum J-64-9657-9
Synonyms 4-Chloro-2-(chloromethyl)-5-phenyl-1-ureido-pyrrole-3-carboxylic acid methyl ester Methyl 1-(aminocarbonylamino)-4-chloranyl-2-(chloromethyl)-5-phenyl-pyrrole-3-carboxylate Methyl 1-(carbamoylamino)-4-chloro-2-(chloromethyl)-5-phenylpyrrole-3-carboxylate Methyl 4-chloro-2-(chloromethyl)-5-phenyl-1-ureido-pyrrole-3-carboxylate
Wiley ID 1531829