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2-(Trifluoromethyl)phenylacetonitrile

View entire compound with spectra: 2 NMR, 3 FTIR, and 2 Raman

2-(Trifluoromethyl)phenylacetonitrile
SpectraBase Compound ID IKkNS1NYpK2
InChI InChI=1S/C9H6F3N/c10-9(11,12)8-4-2-1-3-7(8)5-6-13/h1-4H,5H2
InChIKey QXDCZSJGEUSERL-UHFFFAOYSA-N
Mol Weight 185.15 g/mol
Molecular Formula C9H6F3N
Exact Mass 185.045234 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EbMQXmazxij
Name 2-(Trifluoromethyl)phenylacetonitrile
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 232955
CAS Registry Number 3038-47-9
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6F3N
InChI InChI=1S/C9H6F3N/c10-9(11,12)8-4-2-1-3-7(8)5-6-13/h1-4H,5H2
InChIKey QXDCZSJGEUSERL-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_003611