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3-(Trifluoromethyl)phenyl isothiocyanate
SpectraBase Compound ID 5QWu1hKsmvx
InChI InChI=1S/C8H4F3NS/c9-8(10,11)6-2-1-3-7(4-6)12-5-13/h1-4H
InChIKey GFEPANUKFYVALF-UHFFFAOYSA-N
Mol Weight 203.18 g/mol
Molecular Formula C8H4F3NS
Exact Mass 203.001655 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IbuC37OoLtT
Name 1-Isothiocyanato-3-(trifluoromethyl)benzene
CAS Registry Number 1840-19-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H4F3NS
InChI InChI=1S/C8H4F3NS/c9-8(10,11)6-2-1-3-7(4-6)12-5-13/h1-4H
InChIKey GFEPANUKFYVALF-UHFFFAOYSA-N
Molecular Weight 203.182 g/mol
SMILES c1ccc(C(F)(F)F)cc1N=C=S
SPLASH splash10-0udj-8950000000-18070127ade60daaa63d
Source of Spectrum W5-1988-17707-0
Synonyms .alpha.,.alpha.,.alpha.-Trifluoro-m-tolyl isothiocyanate 3-(Trifluoromethyl)phenyl isothiocyanate Benzene, 1-isothiocyanato-3-(trifluoromethyl)- Isothiocyanic acid, .alpha.,.alpha.,.alpha.-trifluoro-m-tolyl ester m-(Trifluoromethyl)phenyl isothiocyanate m-Trifluoromethylphenol isothiocyanate
Wiley ID 1200541