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4-Chlorobenzotrifluoride

View entire compound with spectra: 14 NMR, 5 FTIR, 3 MS (GC), and 2 Near IR

4-Chlorobenzotrifluoride
SpectraBase Compound ID 4d6vcaQQ1wK
InChI InChI=1S/C7H4ClF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H
InChIKey QULYNCCPRWKEMF-UHFFFAOYSA-N
Mol Weight 180.56 g/mol
Molecular Formula C7H4ClF3
Exact Mass 179.995362 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DnSZfqsJjMB
Name 4-Chlorobenzotrifluoride
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number C26402
CAS Registry Number 98-56-6
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H4ClF3
InChI InChI=1S/C7H4ClF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H
InChIKey QULYNCCPRWKEMF-UHFFFAOYSA-N
Observed nucleus 1H
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 1-Chloro-4-(trifluoromethyl)benzene; 4-Chloro-alpha,alpha,alpha-trifluorotoluene
Wiley ID SIAL_1HNMR_011016