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3-Ethynyl-alpha,alpha,alpha-trifluorotoluene

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

3-Ethynyl-alpha,alpha,alpha-trifluorotoluene
SpectraBase Compound ID 2TFEud2pIZY
InChI InChI=1S/C9H5F3/c1-2-7-4-3-5-8(6-7)9(10,11)12/h1,3-6H
InChIKey PAHXLHWOHJTWRU-UHFFFAOYSA-N
Mol Weight 170.13 g/mol
Molecular Formula C9H5F3
Exact Mass 170.034335 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1Wtr0KHrr4R
Name 3-Ethynyl-alpha,alpha,alpha-trifluorotoluene
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 519448
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H5F3
InChI InChI=1S/C9H5F3/c1-2-7-4-3-5-8(6-7)9(10,11)12/h1,3-6H
InChIKey PAHXLHWOHJTWRU-UHFFFAOYSA-N
Molecular Weight 170.134 g/mol
Observed nucleus 13C
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_015077