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Phosalone
SpectraBase Compound ID T8iR7eqTWC
InChI InChI=1S/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3
InChIKey IOUNQDKNJZEDEP-UHFFFAOYSA-N
Mol Weight 367.8 g/mol
Molecular Formula C12H15ClNO4PS2
Exact Mass 366.986865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3GQUN0Swbwp
Name Phosalone
Source of Sample Sigma-Aldrich Cat. #36194
CAS Registry Number 2310-17-0
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 366.986865009 u
Formula C12H15ClNO4PS2
InChI InChI=1S/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3
InChIKey IOUNQDKNJZEDEP-UHFFFAOYSA-N
Molecular Weight 367.802 g/mol
Number of Peaks 49
RI1 2532
SMILES CCOP(OCC)(=S)SCN1c2ccc(cc2OC1=O)Cl
SPLASH splash10-0fz9-4901000000-d1cf010d703e4604bd32
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, S-[(6-chloro-2-oxo-3(2H)-benzoxazolyl)methyl] O,O-diethyl ester
Wiley ID LM_PEST_127