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1-{[3-(o-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}-3-(p-ethylphenyl)-2-thiourea
SpectraBase Compound ID EKqE7jo1QmD
InChI InChI=1S/C20H18ClN3O2S/c1-3-13-8-10-14(11-9-13)22-20(27)23-19(25)17-12(2)26-24-18(17)15-6-4-5-7-16(15)21/h4-11H,3H2,1-2H3,(H2,22,23,25,27)
InChIKey RCYZILHTLXPJSW-UHFFFAOYSA-N
Mol Weight 399.9 g/mol
Molecular Formula C20H18ClN3O2S
Exact Mass 399.080826 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3W7WzMyv98D
Name 1-{[3-(o-CHLOROPHENYL)-5-METHYL-4-ISOXAZOLYL]CARBONYL}-3-(p-ETHYLPHENYL)-2-THIOUREA
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18ClN3O2
InChI InChI=1S/C20H18ClN3O2S/c1-3-13-8-10-14(11-9-13)22-20(27)23-19(25)17-12(2)26-24-18(17)15-6-4-5-7-16(15)21/h4-11H,3H2,1-2H3,(H2,22,23,25,27)
InChIKey RCYZILHTLXPJSW-UHFFFAOYSA-N
Melting Point 155C
Molecular Weight 399.90
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms UREA, 1-//3-/O-CHLOROPHENYL/- 5-METHYL-4-ISOXAZOLYL/CARBONYL/- 3-/P-ETHYLPHENYL/-2-THIO-,