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5-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-diethyl-5-[(2-hydroxyphenyl)thio]-thioxoimidazolidine-4-one
SpectraBase Compound ID LM6mTQDs4Uv
InChI InChI=1S/C21H21ClN2O3S2/c1-3-23-19(27)21(24(4-2)20(23)28,29-18-8-6-5-7-16(18)25)13-17(26)14-9-11-15(22)12-10-14/h5-12,25H,3-4,13H2,1-2H3
InChIKey FZPQUZKNIGVLPF-UHFFFAOYSA-N
Mol Weight 448.98 g/mol
Molecular Formula C21H21ClN2O3S2
Exact Mass 448.068213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IAezVLnBdbO
Name 5-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-diethyl-5-[(2-hydroxyphenyl)thio]-thioxoimidazolidine-4-one
Appearance White powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21ClN2O3S2
InChI InChI=1S/C21H21ClN2O3S2/c1-3-23-19(27)21(24(4-2)20(23)28,29-18-8-6-5-7-16(18)25)13-17(26)14-9-11-15(22)12-10-14/h5-12,25H,3-4,13H2,1-2H3
InChIKey FZPQUZKNIGVLPF-UHFFFAOYSA-N
Instrument Name Finnigan-Matt 8430
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4120
Molecular Weight 448.983 g/mol
SMILES Oc1c(SC2(C(N(C(N2CC)=S)CC)=O)CC(c2ccc(cc2)Cl)=O)cccc1
SPLASH splash10-007c-3903000000-aa293f146602f53cb616
Source of Spectrum Y-57-SM40-9n
Wiley ID 1859922