N-[4-(Cyanomethyl)phenyl]-N'-[4-(trifluoromethoxy)phenyl]urea

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Systematic / IUPAC Name: 1-[4-(Cyanomethyl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea

ID: Reference5195

Other Names: N-[4-(Cyanomethyl)phenyl]-N'-[4-(trifluoromethoxy)phenyl]urea ;
3-[4-(Cyanomethyl)phenyl]-1-[4-(trifluoromethoxy)phenyl]urea;
Urea, N-[4-(cyanomethyl)phenyl]-N'-[4-(trifluoromethoxy)phenyl]-

Formula: C16H12F3N3O2

Spectral Data

N-[4-(Cyanomethyl)phenyl]-N'-[4-(trifluoromethoxy)phenyl]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 234
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 7/19/2016 9:02:12 AM
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Identificators

InChI InChI=1S/C16H12F3N3O2/c17-16(18,19)24-14-7-5-13(6-8-14)22-15(23)21-12-3-1-11(2-4-12)9-10-20/h1-8H,9H2,(H2,21,22,23)
InChI Key QYYLHVQTGVJDOL-UHFFFAOYSA-N
Canonical SMILES C1=CC(=CC=C1CC#N)NC(=O)NC2=CC=C(C=C2)OC(F)(F)F
CAS
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Other Names N-[4-(Cyanomethyl)phenyl]-N'-[4-(trifluoromethoxy)phenyl]urea ;
3-[4-(Cyanomethyl)phenyl]-1-[4-(trifluoromethoxy)phenyl]urea;
Urea, N-[4-(cyanomethyl)phenyl]-N'-[4-(trifluoromethoxy)phenyl]-

In Other Databases

PubChem 2812206
ChemSpider 2090611