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7-Chloro-1-(2-chloroethyl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, ethyl ester

View entire compound with spectra: 1 NMR, and 2 MS (GC)

7-Chloro-1-(2-chloroethyl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, ethyl ester
SpectraBase Compound ID KIwAMeybI0V
InChI InChI=1S/C14H12Cl2FNO3/c1-2-21-14(20)9-7-18(4-3-15)12-6-10(16)11(17)5-8(12)13(9)19/h5-7H,2-4H2,1H3
InChIKey SFYVJPZGSRGEPE-UHFFFAOYSA-N
Mol Weight 332.16 g/mol
Molecular Formula C14H12Cl2FNO3
Exact Mass 331.017827 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hs3pGRWNs6h
Name 7-Chloro-1-(2-chloroethyl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 331.017826810 u
Formula C14H12Cl2FNO3
InChI InChI=1S/C14H12Cl2FNO3/c1-2-21-14(20)9-7-18(4-3-15)12-6-10(16)11(17)5-8(12)13(9)19/h5-7H,2-4H2,1H3
InChIKey SFYVJPZGSRGEPE-UHFFFAOYSA-N
Molecular Weight 332.158 g/mol
SMILES C(CN1C=C(C(OCC)=O)C(C2=C1C=C(Cl)C(=C2)F)=O)Cl