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3-Benzyl-5-benzylidene-2-isobutylsulfanyl-imidazol-4-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5JRfq55vBun
Name 3-Benzyl-5-benzylidene-2-isobutylsulfanyl-imidazol-4-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.145284509 u
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
Molecular Weight 350.480 g/mol
SMILES C1(=O)\C(N=C(SCC(C)C)N1CC1=CC=CC=C1)=C\C=1C=CC=CC1