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6-[[DI-(4-NITROPHENOXY)-PHOSPHORYL]-OXY]-HEXANOIC-ACID
SpectraBase Compound ID JfgzMS5NpBQ
InChI InChI=1S/C18H19N2O10P/c21-18(22)4-2-1-3-13-28-31(27,29-16-9-5-14(6-10-16)19(23)24)30-17-11-7-15(8-12-17)20(25)26/h5-12H,1-4,13H2,(H,21,22)
InChIKey YAEGMXIUTPAMHQ-UHFFFAOYSA-N
Mol Weight 454.33 g/mol
Molecular Formula C18H19N2O10P
Exact Mass 454.077732 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3j3hckj172I
Name 6-{[bis(4'-Nitrophenoxy)phosphoryl]oxy}hexanoic acid
Alternate Name(s) 6-{[bis(4'-Nitrophenyl)phosphoryl]oxy}hexanoic acid 6-{[bis(4-nitrophenoxy)phosphoryl]oxy}hexanoic acid
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Formula C18H19N2O10P
InChI InChI=1S/C18H19N2O10P/c21-18(22)4-2-1-3-13-28-31(27,29-16-9-5-14(6-10-16)19(23)24)30-17-11-7-15(8-12-17)20(25)26/h5-12H,1-4,13H2,(H,21,22)
InChIKey YAEGMXIUTPAMHQ-UHFFFAOYSA-N
Molecular Weight 454.328 g/mol
SMILES OC(CCCCCOP(Oc1ccc(N(=O)=O)cc1)(Oc1ccc(N(=O)=O)cc1)=O)=O
SPLASH splash10-0673-3906000000-dede85a413281839800e
Source of Spectrum I-78-654-8
Wiley ID 812604