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[3-METHYL-N,N-BIS-(2-CHLOROETHYL)-PHOSPHORDIAMIDATO-4-(NITROPHENYL)-OXY]-ACETATE-SODIUM-SALT

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[3-METHYL-N,N-BIS-(2-CHLOROETHYL)-PHOSPHORDIAMIDATO-4-(NITROPHENYL)-OXY]-ACETATE-SODIUM-SALT
SpectraBase Compound ID 8BTEkKGIzNS
InChI InChI=1S/C13H18Cl2N3O7P.Na/c14-3-5-17(6-4-15)26(16,23)25-8-10-7-11(24-9-13(19)20)1-2-12(10)18(21)22;/h1-2,7H,3-6,8-9H2,(H2,16,23)(H,19,20);/q;+1/p-1
InChIKey SDMLMFXRJUJQRJ-UHFFFAOYSA-M
Mol Weight 452.16 g/mol
Molecular Formula C13H17Cl2N3NaO7P
Exact Mass 451.007887 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Eqgeb28LzKs
Name [3-METHYL-N,N-BIS-(2-CHLOROETHYL)-PHOSPHORDIAMIDATO-4-(NITROPHENYL)-OXY]-ACETATE-SODIUM-SALT
Compound Number 13A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H17Cl2N3NaO7P
InChI InChI=1S/C13H18Cl2N3O7P.Na/c14-3-5-17(6-4-15)26(16,23)25-8-10-7-11(24-9-13(19)20)1-2-12(10)18(21)22;/h1-2,7H,3-6,8-9H2,(H2,16,23)(H,19,20);/q;+1/p-1
InChIKey SDMLMFXRJUJQRJ-UHFFFAOYSA-M
Literature Reference Author R.REINHARD,B.F.SCHMIDT
Literature Reference Citation J.ORG.CHEM.,63,2434(1998)
Literature Reference DOI 10.1021/jo961861m
Solvent D2O
Source File Reference UWSI28237