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alpha'-Chloro-alpha,alpha,alpha-trifluoro-m-xylene
SpectraBase Compound ID 116GXpO0CgT
InChI InChI=1S/C8H6ClF3/c9-5-6-2-1-3-7(4-6)8(10,11)12/h1-4H,5H2
InChIKey XGASTRVQNVVYIZ-UHFFFAOYSA-N
Mol Weight 194.58 g/mol
Molecular Formula C8H6ClF3
Exact Mass 194.011012 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9LoFoVXqWsH
Name 3-(Trifluoromethyl)benzyl chloride
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 167703
CAS Registry Number 705-29-3
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6ClF3
InChI InChI=1S/C8H6ClF3/c9-5-6-2-1-3-7(4-6)8(10,11)12/h1-4H,5H2
InChIKey XGASTRVQNVVYIZ-UHFFFAOYSA-N
Observed nucleus 13C
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms alpha'-Chloro-alpha,alpha,alpha-trifluoro-m-xylene; 3-(Chloromethyl)benzotrifluoride
Wiley ID SIAL_13CNMR_002047