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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ocxHuWeZKx
Name 1-ISOTHIOCYANATO-4-(TRIFLUOROMETHYL)-BENZENE
Compound Number 4L
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author H.ZHANG,R.Q.LIU,K.C.LIU,Q.B.LI,Q.Y.LI,S.Z.LIU
Literature Reference Citation MOLECULES,19,13631(2014)
Literature Reference DOI 10.3390/molecules190913631
Molecular Weight 203.182 g/mol
Solvent CDCl3
Source File Reference UWIR15331