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

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

3-Benzyl-5-benzylidene-2-hexylsulfanyl-imidazol-4-one
SpectraBase Compound ID CPdAdUgA21E
InChI InChI=1S/C23H26N2OS/c1-2-3-4-11-16-27-23-24-21(17-19-12-7-5-8-13-19)22(26)25(23)18-20-14-9-6-10-15-20/h5-10,12-15,17H,2-4,11,16,18H2,1H3/b21-17-
InChIKey RYLKOKKQCGYDNU-FXBPSFAMSA-N
Mol Weight 378.53 g/mol
Molecular Formula C23H26N2OS
Exact Mass 378.176585 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6udRxFHb3AF
Name 3-Benzyl-5-benzylidene-2-hexylsulfanyl-imidazol-4-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 378.176584638 u
Formula C23H26N2OS
InChI InChI=1S/C23H26N2OS/c1-2-3-4-11-16-27-23-24-21(17-19-12-7-5-8-13-19)22(26)25(23)18-20-14-9-6-10-15-20/h5-10,12-15,17H,2-4,11,16,18H2,1H3/b21-17-
InChIKey RYLKOKKQCGYDNU-FXBPSFAMSA-N
Molecular Weight 378.534 g/mol
SMILES C1(=O)\C(N=C(SCCCCCC)N1CC1=CC=CC=C1)=C\C1=CC=CC=C1