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3,5-Dichloro-4-fluorobenzotrifluoride

View entire compound with spectra: 3 NMR, 4 FTIR, and 1 Raman

3,5-Dichloro-4-fluorobenzotrifluoride
SpectraBase Compound ID 1GHclgmHdgd
InChI InChI=1S/C7H2Cl2F4/c8-4-1-3(7(11,12)13)2-5(9)6(4)10/h1-2H
InChIKey BWQFQKZDLBJZAW-UHFFFAOYSA-N
Mol Weight 232.99 g/mol
Molecular Formula C7H2Cl2F4
Exact Mass 231.946968 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ANQCvEs234c
Name 3,5-Dichloro-4-fluorobenzotrifluoride
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 416576
CAS Registry Number 77227-81-7
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H2Cl2F4
InChI InChI=1S/C7H2Cl2F4/c8-4-1-3(7(11,12)13)2-5(9)6(4)10/h1-2H
InChIKey BWQFQKZDLBJZAW-UHFFFAOYSA-N
Observed nucleus 1H
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 1,3-dichloro-2-fluoro-5-(trifluoromethyl)benzene Benzene, 1,3-dichloro-2-fluoro-5-(trifluoromethyl)-
Wiley ID SIAL_1HNMR_009152