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2-Quinolinecarboxylic acid, 1,4-dihydro-7,8-dimethoxy-5-(2-nitroethyl)-4-oxo-, methyl ester
SpectraBase Compound ID HgKzgAtEX4Y
InChI InChI=1S/C15H16N2O7/c1-22-11-6-8(4-5-17(20)21)12-10(18)7-9(15(19)24-3)16-13(12)14(11)23-2/h6-7H,4-5H2,1-3H3,(H,16,18)
InChIKey LCWUHSNBVCAHDJ-UHFFFAOYSA-N
Mol Weight 336.3 g/mol
Molecular Formula C15H16N2O7
Exact Mass 336.095751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hchx0mTLvet
Name 2-Quinolinecarboxylic acid, 1,4-dihydro-7,8-dimethoxy-5-(2-nitroethyl)-4-oxo-, methyl ester
CAS Registry Number 114574-59-3
Comments Less than 3 mono-isotopic peaks
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Formula C15H16N2O7
InChI InChI=1S/C15H16N2O7/c1-22-11-6-8(4-5-17(20)21)12-10(18)7-9(15(19)24-3)16-13(12)14(11)23-2/h6-7H,4-5H2,1-3H3,(H,16,18)
InChIKey LCWUHSNBVCAHDJ-UHFFFAOYSA-N
Molecular Weight 336.300 g/mol
SMILES N1C(=CC(c2c1c(c(cc2CCN(=O)=O)OC)OC)=O)C(=O)OC
SPLASH splash10-0006-0090000000-ae8183f204d01ff26102
Source of Spectrum F-43-4808-0
Synonyms Methyl 7,8-dimethoxy-5-(2-nitroethyl)-4(1H)-quinolone-2-carboxylate methyl 7,8-dimethoxy-5-(2-nitroethyl)-4-oxo-1,4-dihydro-2-quinolinecarboxylate
Wiley ID 1332122