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3-Butyl-5-benzylidene-2-(ethoxycarbonylmethyl)thio-4H-imidazolin-4-one

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

3-Butyl-5-benzylidene-2-(ethoxycarbonylmethyl)thio-4H-imidazolin-4-one
SpectraBase Compound ID 32DWcPDTLn6
InChI InChI=1S/C18H22N2O3S/c1-3-5-11-20-17(22)15(12-14-9-7-6-8-10-14)19-18(20)24-13-16(21)23-4-2/h6-10,12H,3-5,11,13H2,1-2H3/b15-12-
InChIKey QQHJLMPOPYIDOO-QINSGFPZSA-N
Mol Weight 346.45 g/mol
Molecular Formula C18H22N2O3S
Exact Mass 346.135114 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KZsJ1bU7OTJ
Name 3-Butyl-5-benzylidene-2-(ethoxycarbonylmethyl)thio-4H-imidazolin-4-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.135113747 u
Formula C18H22N2O3S
InChI InChI=1S/C18H22N2O3S/c1-3-5-11-20-17(22)15(12-14-9-7-6-8-10-14)19-18(20)24-13-16(21)23-4-2/h6-10,12H,3-5,11,13H2,1-2H3/b15-12-
InChIKey QQHJLMPOPYIDOO-QINSGFPZSA-N
Molecular Weight 346.445 g/mol
SMILES C=1(N(C(\C(N1)=C\C1=CC=CC=C1)=O)CCCC)SCC(=O)OCC