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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 8BK0yoEtzHd
Name 4-Trifluoromethyl-phenylisocyanate
CAS Registry Number 1645-65-4
Comments C7 SHIFT MEASURED AT HIGHER CONCENTRATION
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 Jeol FX-60
Literature Reference R.G. Jones, G. Allen, Org. Magn. Resonance 19, 196 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3