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2-(3-fluoroanilinocarbonyl)hydrazono-6-aminocarbonylhydrazono)heptane-3,4,4,5-tetracarboxylate 3-Ethyl 4,4,5-Trimethyl
SpectraBase Compound ID 8cb786IHTpu
InChI InChI=1S/C24H31FN6O10/c1-7-41-19(33)17(13(3)29-31-23(37)27-15-11-9-8-10-14(15)25)24(20(34)39-5,21(35)40-6)16(18(32)38-4)12(2)28-30-22(26)36/h8-11,16-17H,7H2,1-6H3,(H3,26,30,36)(H2,27,31,37)/b28-12+,29-13+
InChIKey OBTREGMPAWUOAQ-UUYAOZHUSA-N
Mol Weight 582.54 g/mol
Molecular Formula C24H31FN6O10
Exact Mass 582.208569 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ncpFD4Kzht
Name 2-(3-fluoroanilinocarbonyl)hydrazono-6-aminocarbonylhydrazono)heptane-3,4,4,5-tetracarboxylate 3-Ethyl 4,4,5-Trimethyl
Alternate Name(s) 3-Ethyl 4,4,5-Trimethyl 2-[(3'-fluoroanilino)carbonyl]hydrazono-6-(aminocarbonyl)hydrazono]heptane-3,4,4,5-tetracarboxylate 3-Ethyl 4,4,5-Trimethyl 2-[(3'-fluoroanilino)carbonyl]-6-(aminocarbonyl)hydrazono]heptane-3,4,4,5-tetracarboxylate 3-Ethyl 4,4,5-Trimethyl 2-{[(2'-fluoroanilino)carbonyl]hydrazono}-6-[(aminocarbonyl)hydrazono]heptane-3,4,4,5-tetracarboxylate 3-Ethyl-4,4,5-trimethyl 2-(3-fluoroanilinocarbonyl)hydrazono-6-aminocarbonylhydrazono)heptane-3,4,4,5-tetrazacarboxylate 5-Ethyl 3,4,4-trimethyl (2E,6E)-2-[(aminocarbonyl)hydrazono]-6-{[(2-fluoroanilino)carbonyl]hydrazono}-3,4,4,5-heptanetetracarboxylate
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Formula C24H31FN6O10
InChI InChI=1S/C24H31FN6O10/c1-7-41-19(33)17(13(3)29-31-23(37)27-15-11-9-8-10-14(15)25)24(20(34)39-5,21(35)40-6)16(18(32)38-4)12(2)28-30-22(26)36/h8-11,16-17H,7H2,1-6H3,(H3,26,30,36)(H2,27,31,37)/b28-12+,29-13+
InChIKey OBTREGMPAWUOAQ-UUYAOZHUSA-N
Molecular Weight 582.542 g/mol
SMILES N(C(Nc1c(F)cccc1)=O)\N=C\(C(C(C(\C(=N\NC(=O)N)C)C(=O)OC)(C(=O)OC)C(=O)OC)C(=O)OCC)C
SPLASH splash10-0ab9-0000090000-9e3de48141747f931f7b
Source of Spectrum Y2-25-536-3
Wiley ID 1547110