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Disulfoton sulfone
SpectraBase Compound ID CxLE32qxlZu
InChI InChI=1S/C8H19O4PS3/c1-4-11-13(14,12-5-2)15-7-8-16(9,10)6-3/h4-8H2,1-3H3
InChIKey BKVJOVPVLOJPKJ-UHFFFAOYSA-N
Mol Weight 306.39 g/mol
Molecular Formula C8H19O4PS3
Exact Mass 306.01831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FYnwZdBFCAG
Name Disulfoton sulfone
Source of Sample Metabolite of Disulfoton sulfoxide; Sigma-Aldrich Cat. #45871
CAS Registry Number 2497-06-5
Classification Pesticides: Metabolites
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 306.018309608 u
Formula C8H19O4PS3
InChI InChI=1S/C8H19O4PS3/c1-4-11-13(14,12-5-2)15-7-8-16(9,10)6-3/h4-8H2,1-3H3
InChIKey BKVJOVPVLOJPKJ-UHFFFAOYSA-N
Molecular Weight 306.390 g/mol
Number of Peaks 192
RI1 2116
SMILES CCOP(=S)(OCC)SCCS(=O)(=O)CC
SPLASH splash10-0ik9-9730000000-51734e20d2678ad5b3b1
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 Phosphorodithioic acid, O,O-diethyl S-[2-(ethylsulfonyl)ethyl] ester
Wiley ID LM_PEST_261