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2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid methyl ester
SpectraBase Compound ID KiReJSOeoBE
InChI InChI=1S/C16H15F3N2O4/c1-8-12(15(22)25-3)13(14(21(23)24)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,13,20H,1-3H3
InChIKey ZFLWDHHVRRZMEI-UHFFFAOYSA-N
Mol Weight 356.3 g/mol
Molecular Formula C16H15F3N2O4
Exact Mass 356.098391 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Y2cPGp1Yqe
Name 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C16H15F3N2O4
InChI InChI=1S/C16H15F3N2O4/c1-8-12(15(22)25-3)13(14(21(23)24)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,13,20H,1-3H3
InChIKey ZFLWDHHVRRZMEI-UHFFFAOYSA-N
Molecular Weight 356.301 g/mol
SMILES N1C(=C(C(C(=C1C)C(=O)OC)c1c(C(F)(F)F)cccc1)N(=O)=O)C
SPLASH splash10-03di-0092000000-80cc022c340db4956f2a
Source of Spectrum D8-324-792-1
Synonyms methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
Wiley ID 1514154