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Methyl 2-(1-benzyl-4-benzylidene-5-oxo-imidazol-2-yl)sulfanylacetate
SpectraBase Compound ID AMiUyrH8PIl
InChI InChI=1S/C20H18N2O3S/c1-25-18(23)14-26-20-21-17(12-15-8-4-2-5-9-15)19(24)22(20)13-16-10-6-3-7-11-16/h2-12H,13-14H2,1H3/b17-12-
InChIKey XLLAOPGEDVTATI-ATVHPVEESA-N
Mol Weight 366.44 g/mol
Molecular Formula C20H18N2O3S
Exact Mass 366.103814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7tvFXklKx2M
Name Methyl 2-(1-benzyl-4-benzylidene-5-oxo-imidazol-2-yl)sulfanylacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18N2O3S
InChI InChI=1S/C20H18N2O3S/c1-25-18(23)14-26-20-21-17(12-15-8-4-2-5-9-15)19(24)22(20)13-16-10-6-3-7-11-16/h2-12H,13-14H2,1H3/b17-12-
InChIKey XLLAOPGEDVTATI-ATVHPVEESA-N
Literature Reference DOI 10.1002/hc.10160
Molecular Weight 366.435 g/mol
SMILES C1(=O)\C(N=C(SCC(=O)OC)N1Cc1ccccc1)=C\c1ccccc1
SPLASH splash10-00kf-4529000000-0d81a34d77ff9bc1d3d2
Source of Spectrum HAC-14-351-4k
Synonyms (Z)-methyl 2-((1-benzyl-4-benzylidene-5-oxo-4,5-dihydro-1H-imidazol-2-yl)thio)acetate
Wiley ID 1775929