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benzenesulfonic acid, p-chlorophenyl ester
SpectraBase Compound ID DCXnT0OlrXT
InChI InChI=1S/C12H9ClO3S/c13-10-6-8-11(9-7-10)16-17(14,15)12-4-2-1-3-5-12/h1-9H
InChIKey SPJOZZSIXXJYBT-UHFFFAOYSA-N
Mol Weight 268.71 g/mol
Molecular Formula C12H9ClO3S
Exact Mass 267.996093 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 86FEf9YYp52
Name Fenson
Source of Sample Sigma-Aldrich Cat. #45489
CAS Registry Number 80-38-6
Classification Pesticides: Acaricides
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 267.996093021 u
Formula C12H9ClO3S
InChI InChI=1S/C12H9ClO3S/c13-10-6-8-11(9-7-10)16-17(14,15)12-4-2-1-3-5-12/h1-9H
InChIKey SPJOZZSIXXJYBT-UHFFFAOYSA-N
Molecular Weight 268.714 g/mol
Number of Peaks 45
RI1 2003
SMILES c1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)Cl
SPLASH splash10-004l-9520000000-f70e851205cf47c62909
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 Benzenesulfonic acid, 4-chlorophenyl ester
Wiley ID LM_PEST_271