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3-(5-chloro-o-tolyl)-1-(2-cyanoethyl)-1-cyclohexyl-2-thiourea

View entire compound with spectra: 2 NMR, and 1 UV-Vis

3-(5-chloro-o-tolyl)-1-(2-cyanoethyl)-1-cyclohexyl-2-thiourea
SpectraBase Compound ID GXFBL6scaBD
InChI InChI=1S/C17H22ClN3S/c1-13-8-9-14(18)12-16(13)20-17(22)21(11-5-10-19)15-6-3-2-4-7-15/h8-9,12,15H,2-7,11H2,1H3,(H,20,22)
InChIKey DJHBHNSLIRTKCL-UHFFFAOYSA-N
Mol Weight 335.9 g/mol
Molecular Formula C17H22ClN3S
Exact Mass 335.122297 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Itx8n0Ka4tM
Name 3-(5-CHLORO-o-TOLYL)-1-(2-CYANOETHYL)-1-CYCLOHEXYL-2-THIOUREA
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22ClN3S
InChI InChI=1S/C17H22ClN3S/c1-13-8-9-14(18)12-16(13)20-17(22)21(11-5-10-19)15-6-3-2-4-7-15/h8-9,12,15H,2-7,11H2,1H3,(H,20,22)
InChIKey DJHBHNSLIRTKCL-UHFFFAOYSA-N
Melting Point 120.5-121C
Molecular Weight 335.90
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms UREA, 3-/5-CHLORO-O-TOLYL/-1-/2-CYANOETHYL/-1-CYCLOHEXYL-2-THIO-,