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N-[3,5-Bis(trifluoromethyl)phenyl]thiourea

View entire compound with spectra: 2 FTIR, 1 Raman, and 1 MS (GC)

N-[3,5-Bis(trifluoromethyl)phenyl]thiourea
SpectraBase Compound ID ELusuw4rt68
InChI InChI=1S/C9H6F6N2S/c10-8(11,12)4-1-5(9(13,14)15)3-6(2-4)17-7(16)18/h1-3H,(H3,16,17,18)
InChIKey CWRWOECVPKDZIC-UHFFFAOYSA-N
Mol Weight 288.21 g/mol
Molecular Formula C9H6F6N2S
Exact Mass 288.015588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jykr1ftyBNC
Name (3,5-Bis-trifluoromethyl-phenyl)-thiourea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6F6N2S
InChI InChI=1S/C9H6F6N2S/c10-8(11,12)4-1-5(9(13,14)15)3-6(2-4)17-7(16)18/h1-3H,(H3,16,17,18)
InChIKey CWRWOECVPKDZIC-UHFFFAOYSA-N
Molecular Weight 288.211 g/mol
SMILES N(C(=S)N)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
SPLASH splash10-01ti-5390000000-516c8189f17ba4368408
Synonyms 1-[3,5-Bis(trifluoromethyl)phenyl]thiourea
Wiley ID 1438291