N-(2-Cyanoethyl)-N'-[3,5-bis(trifluoromethyl)phenyl]-N-tetrahydrofuran-2-ylmethylthiourea

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Systematic / IUPAC Name: 3-[3,5-Bis(trifluoromethyl)phenyl]-1-(2-cyanoethyl)-1-(tetrahydro-2-furanylmethyl)thiourea

ID: Reference4581

Other Names: Thiourea, N'-[3,5-bis(trifluoromethyl)phenyl]-N-(2-cyanoethyl)-N-[(tetrahydro-2-furanyl)methyl]-

Formula: C17H17F6N3OS

Spectral Data

N-(2-Cyanoethyl)-N'-[3,5-bis(trifluoromethyl)phenyl]-N-tetrahydrofuran-2-ylmethylthiourea 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 4/18/2016 8:59:46 AM
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Identificators

InChI InChI=1S/C17H17F6N3OS/c18-16(19,20)11-7-12(17(21,22)23)9-13(8-11)25-15(28)26(5-2-4-24)10-14-3-1-6-27-14/h7-9,14H,1-3,5-6,10H2,(H,25,28)
InChI Key IOYMNCOARVSXDS-UHFFFAOYSA-N
Canonical SMILES C1CC(OC1)CN(CCC#N)C(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F
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Other Names Thiourea, N'-[3,5-bis(trifluoromethyl)phenyl]-N-(2-cyanoethyl)-N-[(tetrahydro-2-furanyl)methyl]-

In Other Databases

ChemSpider 2096929
PubChem 2818678