N'-(2-Chlorophenyl)-N-(2-cyanoethyl)-N-isopropylurea

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Systematic / IUPAC Name: 3-(2-Chlorophenyl)-1-(2-cyanoethyl)-1-isopropylurea

ID: Reference4087

Other Names: N'-(2-Chlorophenyl)-N-(2-cyanoethyl)-N-isopropylurea ;
1-(2-Chlorophenyl)-3-(2-cyanoethyl)-3-(propan-2-yl)urea;
Urea, N'-(2-chlorophenyl)-N-(2-cyanoethyl)-N-(1-methylethyl)-

Formula: C13H16ClN3O

Spectral Data

N'-(2-Chlorophenyl)-N-(2-cyanoethyl)-N-isopropylurea 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 218
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/7/2016 2:26:52 PM
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Identificators

InChI InChI=1S/C13H16ClN3O/c1-10(2)17(9-5-8-15)13(18)16-12-7-4-3-6-11(12)14/h3-4,6-7,10H,5,9H2,1-2H3,(H,16,18)
InChI Key FJAZTOXPGPBDJG-UHFFFAOYSA-N
Canonical SMILES CC(C)N(CCC#N)C(=O)NC1=CC=CC=C1Cl
CAS
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Other Names N'-(2-Chlorophenyl)-N-(2-cyanoethyl)-N-isopropylurea ;
1-(2-Chlorophenyl)-3-(2-cyanoethyl)-3-(propan-2-yl)urea;
Urea, N'-(2-chlorophenyl)-N-(2-cyanoethyl)-N-(1-methylethyl)-

In Other Databases

PubChem 2812845
ChemSpider 2091249