N'-Allyl-N-(2-cyanoethyl)-N-cyclohexylthiourea

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Systematic / IUPAC Name: 3-Allyl-1-(2-cyanoethyl)-1-cyclohexylthiourea

ID: Reference5621

Other Names: N'-Allyl-N-(2-cyanoethyl)-N-cyclohexylthiourea ;
1-(2-Cyanoethyl)-1-cyclohexyl-3-prop-2-enylthiourea;
3-{Cyclohexyl[(prop-2-enylamino)thioxomethyl]amino}propanenitrile;
Thiourea, N-(2-cyanoethyl)-N-cyclohexyl-N'-2-propen-1-yl-

Formula: C13H21N3S

Spectral Data

N'-Allyl-N-(2-cyanoethyl)-N-cyclohexylthiourea 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 1
No. of Spectra 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 9/14/2016 12:09:49 PM
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Identificators

InChI InChI=1S/C13H21N3S/c1-2-10-15-13(17)16(11-6-9-14)12-7-4-3-5-8-12/h2,12H,1,3-8,10-11H2,(H,15,17)
InChI Key FKJHCFPOTPLBMB-UHFFFAOYSA-N
Canonical SMILES C=CCNC(=S)N(CCC#N)C1CCCCC1
CAS
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Other Names N'-Allyl-N-(2-cyanoethyl)-N-cyclohexylthiourea ;
1-(2-Cyanoethyl)-1-cyclohexyl-3-prop-2-enylthiourea;
3-{Cyclohexyl[(prop-2-enylamino)thioxomethyl]amino}propanenitrile;
Thiourea, N-(2-cyanoethyl)-N-cyclohexyl-N'-2-propen-1-yl-

In Other Databases

ChemSpider 2085755
PubChem 2807294