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1-benzyl-1-(2-cyanoethyl)-3-(5-methyl-3-phenyl-4-isoxazolyl)urea

View entire compound with spectra: 2 NMR, and 1 FTIR

1-benzyl-1-(2-cyanoethyl)-3-(5-methyl-3-phenyl-4-isoxazolyl)urea
SpectraBase Compound ID DpCskLoQAcH
InChI InChI=1S/C21H20N4O2/c1-16-19(20(24-27-16)18-11-6-3-7-12-18)23-21(26)25(14-8-13-22)15-17-9-4-2-5-10-17/h2-7,9-12H,8,14-15H2,1H3,(H,23,26)
InChIKey DTZQSKZRJCIWDI-UHFFFAOYSA-N
Mol Weight 360.42 g/mol
Molecular Formula C21H20N4O2
Exact Mass 360.158626 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4doZQL1wmKJ
Name 1-BENZYL-1-(2-CYANOETHYL)-3-(5-METHYL-3-PHENYL-4-ISOXAZOLYL)UREA
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20N4O2
InChI InChI=1S/C21H20N4O2/c1-16-19(20(24-27-16)18-11-6-3-7-12-18)23-21(26)25(14-8-13-22)15-17-9-4-2-5-10-17/h2-7,9-12H,8,14-15H2,1H3,(H,23,26)
InChIKey DTZQSKZRJCIWDI-UHFFFAOYSA-N
Melting Point 155C
Molecular Weight 360.42
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms UREA, 1-BENZYL-1-/2-CYANOETHYL/- 3-/5-METHYL-3-PHENYL-4-ISOXAZOLYL/-,