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3-Benzyl-5-benzylidene-2-butylsulfanyl-imidazol-4-one
SpectraBase Compound ID Jr5lXSN63wG
InChI InChI=1S/C21H22N2OS/c1-2-3-14-25-21-22-19(15-17-10-6-4-7-11-17)20(24)23(21)16-18-12-8-5-9-13-18/h4-13,15H,2-3,14,16H2,1H3/b19-15-
InChIKey DHVNTCIFBIVXPM-CYVLTUHYSA-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 1lVEYoiB178
Name 3-Benzyl-5-benzylidene-2-butylsulfanyl-imidazol-4-one
Alternate Name(s) (Z)-1-benzyl-4-benzylidene-2-(butylthio)-1H-imidazol-5(4H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2OS
InChI InChI=1S/C21H22N2OS/c1-2-3-14-25-21-22-19(15-17-10-6-4-7-11-17)20(24)23(21)16-18-12-8-5-9-13-18/h4-13,15H,2-3,14,16H2,1H3/b19-15-
InChIKey DHVNTCIFBIVXPM-CYVLTUHYSA-N
Literature Reference DOI 10.1002/hc.10160
Molecular Weight 350.480 g/mol
SMILES C1(=O)\C(N=C(SCCCC)N1Cc1ccccc1)=C\c1ccccc1
SPLASH splash10-0f6x-6359000000-69aed07a77bd19581057
Source of Spectrum HAC-14-350-4d
Wiley ID 1775922