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O,O-Dimethyl 4-nitrobenzylphosphonothioate
SpectraBase Compound ID CDvxubhFeOY
InChI InChI=1S/C9H12NO4PS/c1-13-15(16,14-2)7-8-3-5-9(6-4-8)10(11)12/h3-6H,7H2,1-2H3
InChIKey JTXSQAJPKMOAOC-UHFFFAOYSA-N
Mol Weight 261.23 g/mol
Molecular Formula C9H12NO4PS
Exact Mass 261.022466 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2b9zzzTXlrC
Name O,O-Dimethyl 4-nitrobenzylphosphonothioate
CAS Registry Number 80879-49-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12NO4PS
InChI InChI=1S/C9H12NO4PS/c1-13-15(16,14-2)7-8-3-5-9(6-4-8)10(11)12/h3-6H,7H2,1-2H3
InChIKey JTXSQAJPKMOAOC-UHFFFAOYSA-N
Molecular Weight 261.232 g/mol
SMILES COP(Cc1ccc(cc1)N(=O)=O)(OC)=S
SPLASH splash10-01t9-8940000000-633a17f7c509c22baf4c
Source of Spectrum O-21-164-0
Synonyms Dimethoxy-(4-nitrobenzyl)-thioxo-phosphorane Dimethoxy-[(4-nitrophenyl)methyl]-sulfanylidenephosphorane O,O-Dimethyl (4-nitrobenzyl)thiophosphonate Dimethoxy-[(4-nitrophenyl)methyl]-thioxo-$l^{5}-phosphane
Wiley ID 1264483