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4-(Trifluoromethyl)phenyl isothiocyanate
SpectraBase Compound ID 3QLBO680qJK
InChI InChI=1S/C8H4F3NS/c9-8(10,11)6-1-3-7(4-2-6)12-5-13/h1-4H
InChIKey DQEVDFQAYLIBRD-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 1k4QILVM0Kb
Name 1-isothiocyanato-4-(trifluoromethyl)benzene
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H4F3NS
InChI InChI=1S/C8H4F3NS/c9-8(10,11)6-1-3-7(4-2-6)12-5-13/h1-4H
InChIKey DQEVDFQAYLIBRD-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Molecular Weight 203.182 g/mol
SMILES c1(ccc(cc1)C(F)(F)F)N=C=S
SPLASH splash10-0udi-0590000000-928637a3d6071f328fc7
Source of Spectrum CN109608295A
Wiley ID 1872681