For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-{[3-(o-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl-3-(p-cumenyl)-2-thiourea
SpectraBase Compound ID 6iswm67bhC6
InChI InChI=1S/C21H20ClN3O2S/c1-12(2)14-8-10-15(11-9-14)23-21(28)24-20(26)18-13(3)27-25-19(18)16-6-4-5-7-17(16)22/h4-12H,1-3H3,(H2,23,24,26,28)
InChIKey DVJMLMRBXHEUAR-UHFFFAOYSA-N
Mol Weight 413.92 g/mol
Molecular Formula C21H20ClN3O2S
Exact Mass 413.096476 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FqMnj0L3BZf
Name 1-{[3-(o-CHLOROPHENYL)-5-METHYL-4-ISOXAZOLYL]CARBONYL}-3-(p-CUMENYL)-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 C21H20ClN3O2S
InChI InChI=1S/C21H20ClN3O2S/c1-12(2)14-8-10-15(11-9-14)23-21(28)24-20(26)18-13(3)27-25-19(18)16-6-4-5-7-17(16)22/h4-12H,1-3H3,(H2,23,24,26,28)
InChIKey DVJMLMRBXHEUAR-UHFFFAOYSA-N
Melting Point 165-168C
Molecular Weight 413.93
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms UREA, 1-//3-/O-CHLOROPHENYL/- 5-METHYL-4-ISOXAZOLYL/CARBONYL/- 3-/P-CUMENYL/-2-THIO-,