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Demeton-S
SpectraBase Compound ID HgVFJczx5cP
InChI InChI=1S/C8H19O3PS2/c1-4-10-12(9,11-5-2)14-8-7-13-6-3/h4-8H2,1-3H3
InChIKey GRPRVIYRYGLIJU-UHFFFAOYSA-N
Mol Weight 258.33 g/mol
Molecular Formula C8H19O3PS2
Exact Mass 258.051324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 46t0hmwuOYu
Name Demeton-S
Source of Sample Sigma-Aldrich Cat. #N11582
CAS Registry Number 126-75-0
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 258.051323815 u
Formula C8H19O3PS2
InChI InChI=1S/C8H19O3PS2/c1-4-10-12(9,11-5-2)14-8-7-13-6-3/h4-8H2,1-3H3
InChIKey GRPRVIYRYGLIJU-UHFFFAOYSA-N
Molecular Weight 258.331 g/mol
Number of Peaks 49
RI1 1721
SMILES C(OP(=O)(OCC)SCCSCC)C
SPLASH splash10-000i-9200000000-5343f6e89589610ea49d
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-diethyl S-[2-(ethylthio)ethyl] ester
Wiley ID LM_PEST_851