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

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

3-Benzyl-5-benzylidene-2-propylsulfanyl-imidazol-4-one
SpectraBase Compound ID 7Siz8tCkuNB
InChI InChI=1S/C20H20N2OS/c1-2-13-24-20-21-18(14-16-9-5-3-6-10-16)19(23)22(20)15-17-11-7-4-8-12-17/h3-12,14H,2,13,15H2,1H3/b18-14-
InChIKey WUBFYTYMUAHUJX-JXAWBTAJSA-N
Mol Weight 336.45 g/mol
Molecular Formula C20H20N2OS
Exact Mass 336.129634 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L05xFsUwv65
Name 3-Benzyl-5-benzylidene-2-propylsulfanyl-imidazol-4-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.129634445 u
Formula C20H20N2OS
InChI InChI=1S/C20H20N2OS/c1-2-13-24-20-21-18(14-16-9-5-3-6-10-16)19(23)22(20)15-17-11-7-4-8-12-17/h3-12,14H,2,13,15H2,1H3/b18-14-
InChIKey WUBFYTYMUAHUJX-JXAWBTAJSA-N
Molecular Weight 336.453 g/mol
SMILES C1(=O)\C(N=C(SCCC)N1CC1=CC=CC=C1)=C\C=1C=CC=CC1