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Methyl 2-[1-amino-4-[(4-chlorophenyl)methylene]-5-oxo-imidazol-2-yl]sulfanylacetate
SpectraBase Compound ID JfPUVahgYxg
InChI InChI=1S/C13H12ClN3O3S/c1-20-11(18)7-21-13-16-10(12(19)17(13)15)6-8-2-4-9(14)5-3-8/h2-6H,7,15H2,1H3
InChIKey XPMICJLXMILRMO-UHFFFAOYSA-N
Mol Weight 325.77 g/mol
Molecular Formula C13H12ClN3O3S
Exact Mass 325.02879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 98Rjw0dO6ce
Name Methyl 2-[1-amino-4-[(4-chlorophenyl)methylene]-5-oxo-imidazol-2-yl]sulfanylacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12ClN3O3S
InChI InChI=1S/C13H12ClN3O3S/c1-20-11(18)7-21-13-16-10(12(19)17(13)15)6-8-2-4-9(14)5-3-8/h2-6H,7,15H2,1H3
InChIKey XPMICJLXMILRMO-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hc.20069
Molecular Weight 325.770 g/mol
SMILES NN1C(=NC(=Cc2ccc(Cl)cc2)C1=O)SCC(OC)=O
SPLASH splash10-004j-0549000000-e44328e813b8ed0468c0
Source of Spectrum HAC-16-78-5k
Synonyms Methyl 2-((1-amino-4-(4-chlorobenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-2-yl)thio)acetate
Wiley ID 1783494