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3-chloro-7-hydroxy-4-methylcoumarin, O-ester with O,O-diethylphosphorothioate
SpectraBase Compound ID 1FaS05pxLvY
InChI InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3
InChIKey BXNANOICGRISHX-UHFFFAOYSA-N
Mol Weight 362.76 g/mol
Molecular Formula C14H16ClO5PS
Exact Mass 362.014459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DdNsQjSNJlj
Name Coumaphos
Source of Sample Sigma-Aldrich Cat. #45403
CAS Registry Number 56-72-4
Classification Pesticides: Acaricides
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 362.014459482 u
Formula C14H16ClO5PS
InChI InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3
InChIKey BXNANOICGRISHX-UHFFFAOYSA-N
Molecular Weight 362.764 g/mol
Number of Peaks 50
RI1 2705
SMILES CCOP(OCC)(Oc1ccc2C(C)=C(C(=O)Oc2c1)Cl)=S
SPLASH splash10-03fr-7988000000-2cb1740ceea83bed3620
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-(3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl) O,O-diethyl ester
Wiley ID LM_PEST_243