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Methyl 2-(1-amino-4-benzylidene-5-oxo-imidazol-2-yl)sulfanylacetate
SpectraBase Compound ID BLRgLXRaNqD
InChI InChI=1S/C13H13N3O3S/c1-19-11(17)8-20-13-15-10(12(18)16(13)14)7-9-5-3-2-4-6-9/h2-7H,8,14H2,1H3
InChIKey PHDVWBTYNLTYND-UHFFFAOYSA-N
Mol Weight 291.32 g/mol
Molecular Formula C13H13N3O3S
Exact Mass 291.067762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DP6sfXuKUAf
Name Methyl 2-(1-amino-4-benzylidene-5-oxo-imidazol-2-yl)sulfanylacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13N3O3S
InChI InChI=1S/C13H13N3O3S/c1-19-11(17)8-20-13-15-10(12(18)16(13)14)7-9-5-3-2-4-6-9/h2-7H,8,14H2,1H3
InChIKey PHDVWBTYNLTYND-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hc.20069
Molecular Weight 291.325 g/mol
SMILES NN1C(=NC(=Cc2ccccc2)C1=O)SCC(OC)=O
SPLASH splash10-000y-0390000000-aadbb7d2a49a50c73f50
Source of Spectrum HAC-16-78-5h
Synonyms Methyl 2-((1-amino-4-benzylidene-5-oxo-4,5-dihydro-1H-imidazol-2-yl)thio)acetate
Wiley ID 1783491