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2-Diethoxyphosphoryl-2-(methylthio)-1-(3-nitrophenyl)ethanone
SpectraBase Compound ID LcSnuU9LjkI
InChI InChI=1S/C13H18NO6PS/c1-4-19-21(18,20-5-2)13(22-3)12(15)10-7-6-8-11(9-10)14(16)17/h6-9,13H,4-5H2,1-3H3
InChIKey SXJUAQBAAQFPDJ-UHFFFAOYSA-N
Mol Weight 347.32 g/mol
Molecular Formula C13H18NO6PS
Exact Mass 347.059245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EBPR9lau0He
Name 2-Diethoxyphosphoryl-2-(methylthio)-1-(3-nitrophenyl)ethanone
Alternate Name(s) 2-Diethoxyphosphoryl-2-methylsulfanyl-1-(3-nitrophenyl)ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18NO6PS
InChI InChI=1S/C13H18NO6PS/c1-4-19-21(18,20-5-2)13(22-3)12(15)10-7-6-8-11(9-10)14(16)17/h6-9,13H,4-5H2,1-3H3
InChIKey SXJUAQBAAQFPDJ-UHFFFAOYSA-N
Molecular Weight 347.322 g/mol
SMILES C(P(=O)(OCC)OCC)(C(c1cc(N(=O)=O)ccc1)=O)SC
SPLASH splash10-0udl-2911000000-b86cbbcd25ac07601e3f
Source of Spectrum C5-2003-1251-3
Wiley ID 1615635