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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HSTePTWOwGr
Name Anisole <2,4,6-trichloro->
Source of Sample SAFC Cat.no. 235393
CAS Registry Number 87-40-1
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)2-4(8)3-6(7)10/h2-3H,1H3
InChIKey WCVOGSZTONGSQY-UHFFFAOYSA-N
Molecular Weight 211.475 g/mol
Number of Peaks 50
RI1 1325
RI2 1002
SMILES c1(c(c(cc(c1)Cl)Cl)OC)Cl
SPLASH splash10-01ot-2940000000-25e610eee5c8204d7d60
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Benzene, 1,3,5-trichloro-2-methoxy-
Wiley ID LM_FFNSC3_1154