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Sodium Methyl methyl-.alpha.-[(2',4'-dichlorophenoxy)acetoxy]-(3"-nitrophenyl)-phosphonate
SpectraBase Compound ID AJ0aDQe0lVJ
InChI InChI=1S/C16H14Cl2NO8P.Na/c1-25-28(23,24)16(10-3-2-4-12(7-10)19(21)22)27-15(20)9-26-14-6-5-11(17)8-13(14)18;/h2-8,16H,9H2,1H3,(H,23,24);/q;+1/p-1
InChIKey OQSZRFVTTRXUIO-UHFFFAOYSA-M
Mol Weight 472.15 g/mol
Molecular Formula C16H13Cl2NNaO8P
Exact Mass 470.965353 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CMA8ArkcP80
Name Sodium Methyl methyl-.alpha.-[(2',4'-dichlorophenoxy)acetoxy]-(3"-nitrophenyl)-phosphonate
Alternate Name(s) sodium;[[2-(2,4-dichlorophenoxy)-1-oxoethoxy]-(3-nitrophenyl)methyl]-methoxyphosphinate sodium;[[2-(2,4-dichlorophenoxy)acetyl]oxy-(3-nitrophenyl)methyl]-methoxyphosphinate sodium;[2-[2,4-bis(chloranyl)phenoxy]ethanoyloxy-(3-nitrophenyl)methyl]-methoxy-phosphinate
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Formula C16H13Cl2NNaO8P
InChI InChI=1S/C16H14Cl2NO8P.Na/c1-25-28(23,24)16(10-3-2-4-12(7-10)19(21)22)27-15(20)9-26-14-6-5-11(17)8-13(14)18;/h2-8,16H,9H2,1H3,(H,23,24);/q;+1/p-1
InChIKey OQSZRFVTTRXUIO-UHFFFAOYSA-M
Molecular Weight 472.149 g/mol
SMILES C(P([O-][Na+])(=O)OC)(OC(=O)COc1c(cc(cc1)Cl)Cl)c1cc(N(=O)=O)ccc1
SPLASH splash10-03di-2910000000-ad1b74f1136f6f4817d0
Source of Spectrum MZ-34-1421-6
Wiley ID 1582157