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Carbophenothion-methyl oxygen-analogue
SpectraBase Compound ID 5xZLvqF1B49
InChI InChI=1S/C9H12ClO3PS2/c1-12-14(11,13-2)16-7-15-9-5-3-8(10)4-6-9/h3-6H,7H2,1-2H3
InChIKey KCIJDUZGOXCCHB-UHFFFAOYSA-N
Mol Weight 298.74 g/mol
Molecular Formula C9H12ClO3PS2
Exact Mass 297.965401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7UWyQpIceXq
Name Carbophenothion-methyl oxygen-analogue
Source of Sample LGC Cat. #DRE-L11020700CY; www.lgcstandards.com
CAS Registry Number 7332-32-3
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 297.965401289 u
Formula C9H12ClO3PS2
InChI InChI=1S/C9H12ClO3PS2/c1-12-14(11,13-2)16-7-15-9-5-3-8(10)4-6-9/h3-6H,7H2,1-2H3
InChIKey KCIJDUZGOXCCHB-UHFFFAOYSA-N
Molecular Weight 298.739 g/mol
Number of Peaks 191
RI1 2143
RI2 2066
SMILES C(SP(=O)(OC)OC)Sc1ccc(cc1)Cl
SPLASH splash10-0a4i-3900000000-a8688cffdd6cc7523602
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 Phosphorothioic acid, S-[[(4-chlorophenyl)thio]methyl] O,O-dimethyl ester
Wiley ID LM_PEST_1047