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COROXON
SpectraBase Compound ID K4xhCR1P8bo
InChI InChI=1S/C14H16ClO6P/c1-4-18-22(17,19-5-2)21-10-6-7-11-9(3)13(15)14(16)20-12(11)8-10/h6-8H,4-5H2,1-3H3
InChIKey FDYMERLIFOUIRZ-UHFFFAOYSA-N
Mol Weight 346.7 g/mol
Molecular Formula C14H16ClO6P
Exact Mass 346.037303 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HsZHETSt8sv
Name Coumaphos oxon
Source of Sample LGC Cat. #DRE-C11731000; www.lgcstandards.com
CAS Registry Number 321-54-0
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 346.037302927 u
Formula C14H16ClO6P
InChI InChI=1S/C14H16ClO6P/c1-4-18-22(17,19-5-2)21-10-6-7-11-9(3)13(15)14(16)20-12(11)8-10/h6-8H,4-5H2,1-3H3
InChIKey FDYMERLIFOUIRZ-UHFFFAOYSA-N
Molecular Weight 346.703 g/mol
Number of Peaks 313
RI1 2640
RI2 2563
SMILES CCOP(=O)(OCC)Oc1ccc2C(C)=C(C(=O)Oc2c1)Cl
SPLASH splash10-01pk-5895000000-4b7ab786e1ef29c9a0d2
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 Phosphoric acid, 3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl diethyl ester
Wiley ID LM_PEST_982