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Phosphonothioic acid, phenyl-, O-ethyl O-(4-nitrophenyl) ester
SpectraBase Compound ID KtvzWmu49Ne
InChI InChI=1S/C14H14NO4PS/c1-2-18-20(21,14-6-4-3-5-7-14)19-13-10-8-12(9-11-13)15(16)17/h3-11H,2H2,1H3
InChIKey AIGRXSNSLVJMEA-UHFFFAOYSA-N
Mol Weight 323.3 g/mol
Molecular Formula C14H14NO4PS
Exact Mass 323.038116 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6TzUpsWGyUJ
Name EPN
Source of Sample Sigma-Aldrich Cat. #36503
CAS Registry Number 2104-64-5
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 323.038116103 u
Formula C14H14NO4PS
InChI InChI=1S/C14H14NO4PS/c1-2-18-20(21,14-6-4-3-5-7-14)19-13-10-8-12(9-11-13)15(16)17/h3-11H,2H2,1H3
InChIKey AIGRXSNSLVJMEA-UHFFFAOYSA-N
Molecular Weight 323.303 g/mol
Number of Peaks 47
RI1 2457
SMILES c1ccc(cc1)P(Oc1ccc(cc1)N(=O)=O)(OCC)=S
SPLASH splash10-0aor-2900000000-c4ec4226267abd6d9949
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 Phosphonothioic acid, P-phenyl-, O-ethyl O-(4-nitrophenyl) ester
Wiley ID LM_PEST_373