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2,3,6-Trichloroanisole
SpectraBase Compound ID 2m48xc9ZGqR
InChI InChI=1S/C7H5Cl3O/c1-11-7-5(9)3-2-4(8)6(7)10/h2-3H,1H3
InChIKey OTFNCXLUCRUNCH-UHFFFAOYSA-N
Mol Weight 211.47 g/mol
Molecular Formula C7H5Cl3O
Exact Mass 209.940598 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8AOq2tBjUbz
Name 2,3,6-Trichloroanisole
Source of Sample Sigma-Aldrich Cat. #36625
CAS Registry Number 50375-10-5
Classification Pesticides
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 209.940597880 u
Formula C7H5Cl3O
InChI InChI=1S/C7H5Cl3O/c1-11-7-5(9)3-2-4(8)6(7)10/h2-3H,1H3
InChIKey OTFNCXLUCRUNCH-UHFFFAOYSA-N
Molecular Weight 211.475 g/mol
Number of Peaks 49
RI1 1367
SMILES c1cc(c(c(OC)c1Cl)Cl)Cl
SPLASH splash10-03xs-2950000000-2478eb4c48874f655b45
Sample Comments RI1: measured on SLB-5ms (Alkanes) RI2: measured on Equity-1 (Alkanes)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Benzene, 1,2,4-trichloro-3-methoxy-
Wiley ID LM_PEST_800