N,N'-Bis[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]urea

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Systematic / IUPAC Name: 1,3-Bis[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]urea

ID: Reference4002

Other Names: Urea, N,N'-bis[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]-

Formula: C21H16Cl2N4O3

Spectral Data

N,N'-Bis[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]urea mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 216
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/29/2016 8:45:57 AM
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Identificators

InChI InChI=1S/C21H16Cl2N4O3/c1-11-17(19(26-29-11)13-7-3-5-9-15(13)22)24-21(28)25-18-12(2)30-27-20(18)14-8-4-6-10-16(14)23/h3-10H,1-2H3,(H2,24,25,28)
InChI Key CPFRTFMHIZRUCH-UHFFFAOYSA-N
Canonical SMILES CC1=C(C(=NO1)C2=CC=CC=C2Cl)NC(=O)NC3=C(ON=C3C4=CC=CC=C4Cl)C
CAS
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Other Names Urea, N,N'-bis[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]-

In Other Databases

PubChem 2804130
ChemSpider 2082685