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phosphorothioic acid, O,O-dimethyl O-4-nitro-m-tolyl ester
SpectraBase Compound ID JQPNT1QaTLM
InChI InChI=1S/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3
InChIKey ZNOLGFHPUIJIMJ-UHFFFAOYSA-N
Mol Weight 277.23 g/mol
Molecular Formula C9H12NO5PS
Exact Mass 277.017381 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EdzChgRfDf9
Name Fenitrothion
Source of Sample Sigma-Aldrich Cat. #45487
CAS Registry Number 122-14-5
Classification Pesticides: Insecticides
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 277.017380657 u
Formula C9H12NO5PS
InChI InChI=1S/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3
InChIKey ZNOLGFHPUIJIMJ-UHFFFAOYSA-N
Molecular Weight 277.231 g/mol
Number of Peaks 46
RI1 1935
SMILES Cc1cc(ccc1N(=O)=O)OP(OC)(OC)=S
SPLASH splash10-004i-9720000000-fb1dab001631e2e27c72
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, O,O-dimethyl O-(3-methyl-4-nitrophenyl) ester
Wiley ID LM_PEST_37