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3,5-Bis(trifluoromethyl)phenyl isothiocyanate
SpectraBase Compound ID 1ot80dTAWYO
InChI InChI=1S/C9H3F6NS/c10-8(11,12)5-1-6(9(13,14)15)3-7(2-5)16-4-17/h1-3H
InChIKey FXOSSGVJGGNASE-UHFFFAOYSA-N
Mol Weight 271.18 g/mol
Molecular Formula C9H3F6NS
Exact Mass 270.989039 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6YNjuVJjrQa
Name 3,5-Bis(trifluoromethyl)phenyl isothiocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 468517
CAS Registry Number 23165-29-9
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H3F6NS
InChI InChI=1S/C9H3F6NS/c10-8(11,12)5-1-6(9(13,14)15)3-7(2-5)16-4-17/h1-3H
InChIKey FXOSSGVJGGNASE-UHFFFAOYSA-N
Observed nucleus 1H
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 1-isothiocyanato-3,5-bis(trifluoromethyl)benzene Benzene, 1-isothiocyanato-3,5-bis(trifluoromethyl)-
Wiley ID SIAL_1HNMR_010157