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3-Benzyl-5-benzylidene-2-isobutylsulfanyl-imidazol-4-one
SpectraBase Compound ID GLa5QtNcgJ0
InChI InChI=1S/C21H22N2OS/c1-16(2)15-25-21-22-19(13-17-9-5-3-6-10-17)20(24)23(21)14-18-11-7-4-8-12-18/h3-13,16H,14-15H2,1-2H3/b19-13-
InChIKey VSYAGUNDUSBPMZ-UYRXBGFRSA-N
Mol Weight 350.48 g/mol
Molecular Formula C21H22N2OS
Exact Mass 350.145285 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IIsKaz8lJX6
Name 3-Benzyl-5-benzylidene-2-isobutylsulfanyl-imidazol-4-one
Alternate Name(s) (Z)-1-benzyl-4-benzylidene-2-(isobutylthio)-1H-imidazol-5(4H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2OS
InChI InChI=1S/C21H22N2OS/c1-16(2)15-25-21-22-19(13-17-9-5-3-6-10-17)20(24)23(21)14-18-11-7-4-8-12-18/h3-13,16H,14-15H2,1-2H3/b19-13-
InChIKey VSYAGUNDUSBPMZ-UYRXBGFRSA-N
Literature Reference DOI 10.1002/hc.10160
Molecular Weight 350.480 g/mol
SMILES C1(=O)\C(N=C(SCC(C)C)N1Cc1ccccc1)=C\c1ccccc1
SPLASH splash10-0006-7497000000-21a19b456f214a972e80
Source of Spectrum HAC-14-350-4e
Wiley ID 1775923