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Chlorfenac
SpectraBase Compound ID EdWjn3sdcVc
InChI InChI=1S/C8H5Cl3O2/c9-5-1-2-6(10)8(11)4(5)3-7(12)13/h1-2H,3H2,(H,12,13)
InChIKey QZXCCPZJCKEPSA-UHFFFAOYSA-N
Mol Weight 239.48 g/mol
Molecular Formula C8H5Cl3O2
Exact Mass 237.935512 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AKu3ZdfePcR
Name Chlorfenac
Source of Sample Sigma-Aldrich Cat. #34318
CAS Registry Number 85-34-7
Classification Pesticides: Herbicides
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 237.935512499 u
Formula C8H5Cl3O2
InChI InChI=1S/C8H5Cl3O2/c9-5-1-2-6(10)8(11)4(5)3-7(12)13/h1-2H,3H2,(H,12,13)
InChIKey QZXCCPZJCKEPSA-UHFFFAOYSA-N
Molecular Weight 239.485 g/mol
Number of Peaks 48
RI1 1756
SMILES OC(=O)Cc1c(c(ccc1Cl)Cl)Cl
SPLASH splash10-0pbc-3940000000-e9154f5e34b80f754cc5
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 Benzeneacetic acid, 2,3,6-trichloro-
Wiley ID LM_PEST_637