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2-[3-nitro-6-(trifluoromethyl)-2-pyridinyl]propanedioic acid bis(phenylmethyl) ester
SpectraBase Compound ID 6FjhbCLUMNE
InChI InChI=1S/C23H17F3N2O6/c24-23(25,26)18-12-11-17(28(31)32)20(27-18)19(21(29)33-13-15-7-3-1-4-8-15)22(30)34-14-16-9-5-2-6-10-16/h1-12,19H,13-14H2
InChIKey PCRJSMBNKMGQMB-UHFFFAOYSA-N
Mol Weight 474.39 g/mol
Molecular Formula C23H17F3N2O6
Exact Mass 474.103871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KezLCxHFZ6K
Name 2-[3-nitro-6-(trifluoromethyl)-2-pyridinyl]propanedioic acid bis(phenylmethyl) ester
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Formula C23H17F3N2O6
InChI InChI=1S/C23H17F3N2O6/c24-23(25,26)18-12-11-17(28(31)32)20(27-18)19(21(29)33-13-15-7-3-1-4-8-15)22(30)34-14-16-9-5-2-6-10-16/h1-12,19H,13-14H2
InChIKey PCRJSMBNKMGQMB-UHFFFAOYSA-N
Molecular Weight 474.392 g/mol
SMILES c1(c(N(=O)=O)ccc(C(F)(F)F)n1)C(C(OCc1ccccc1)=O)C(OCc1ccccc1)=O
SPLASH splash10-052f-9570000000-fd75069cbd7fedd54c2b
Source of Spectrum Y-33-292-18
Synonyms 2-[3-nitro-6-(trifluoromethyl)-2-pyridyl]malonic acid dibenzyl ester bis(phenylmethyl) 2-[3-nitro-6-(trifluoromethyl)pyridin-2-yl]propanedioate dibenzyl 2-[3-nitro-6-(trifluoromethyl)-2-pyridyl]propanedioate dibenzyl 2-[3-nitro-6-(trifluoromethyl)pyridin-2-yl]propanedioate
Wiley ID 1393775