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2,4,6-Trichloroanisole

View entire compound with spectra: 7 NMR, 5 FTIR, 2 Raman, and 16 MS (GC)

2,4,6-Trichloroanisole
SpectraBase Compound ID 8qqCruj9NmT
InChI InChI=1S/C7H5Cl3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3
InChIKey WCVOGSZTONGSQY-UHFFFAOYSA-N
Mol Weight 211.47 g/mol
Molecular Formula C7H5Cl3O
Exact Mass 209.940598 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 13YqnjSoCe5
Name 2,4,6-Trichloroanisole
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 235393
CAS Registry Number 87-40-1
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H5Cl3O
InChI InChI=1S/C7H5Cl3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3
InChIKey WCVOGSZTONGSQY-UHFFFAOYSA-N
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 2,4,6-Trichloro-1-methoxybenzene
Wiley ID SIAL_13CNMR_003723