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4-(Trifluoromethoxy)phenyl isothiocyanate

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4-(Trifluoromethoxy)phenyl isothiocyanate
SpectraBase Compound ID 7aRmJwDSbup
InChI InChI=1S/C8H4F3NOS/c9-8(10,11)13-7-3-1-6(2-4-7)12-5-14/h1-4H
InChIKey JKSZUQPHKOPVHF-UHFFFAOYSA-N
Mol Weight 219.18 g/mol
Molecular Formula C8H4F3NOS
Exact Mass 218.996569 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8rs38om7HiO
Name 4-(Trifluoromethoxy)phenyl isothiocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 525359
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H4F3NOS
InChI InChI=1S/C8H4F3NOS/c9-8(10,11)13-7-3-1-6(2-4-7)12-5-14/h1-4H
InChIKey JKSZUQPHKOPVHF-UHFFFAOYSA-N
Molecular Weight 219.181 g/mol
Observed nucleus 13C
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_015111