N-Allyl-N'-{4-[3,5-bis(trifluoromethyl)phenoxy]phenyl}thiourea

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Systematic / IUPAC Name: 1-Allyl-3-{4-[3,5-bis(trifluoromethyl)phenoxy]phenyl}thiourea

ID: Reference4318

Other Names: Thiourea, N-{4-[3,5-bis(trifluoromethyl)phenoxy]phenyl}-N'-2-propen-1-yl-

Formula: C18H14F6N2OS

Spectral Data

N-Allyl-N'-{4-[3,5-bis(trifluoromethyl)phenoxy]phenyl}thiourea 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 238
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/21/2016 1:12:53 PM
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Identificators

InChI InChI=1S/C18H14F6N2OS/c1-2-7-25-16(28)26-13-3-5-14(6-4-13)27-15-9-11(17(19,20)21)8-12(10-15)18(22,23)24/h2-6,8-10H,1,7H2,(H2,25,26,28)
InChI Key FMBGFTVRZRFLPJ-UHFFFAOYSA-N
Canonical SMILES C=CCNC(=S)NC1=CC=C(C=C1)OC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F
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Other Names Thiourea, N-{4-[3,5-bis(trifluoromethyl)phenoxy]phenyl}-N'-2-propen-1-yl-

In Other Databases

PubChem 2741301
ChemSpider 2022870