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6-Chloro-1,4-dihydro-1-ethyl-4-oxo-3-quinolinecarboxylic acid

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 Raman

6-Chloro-1,4-dihydro-1-ethyl-4-oxo-3-quinolinecarboxylic acid
SpectraBase Compound ID EbilamwzVOx
InChI InChI=1S/C12H10ClNO3/c1-2-14-6-9(12(16)17)11(15)8-5-7(13)3-4-10(8)14/h3-6H,2H2,1H3,(H,16,17)
InChIKey YVRGGPBWRTYCDP-UHFFFAOYSA-N
Mol Weight 251.67 g/mol
Molecular Formula C12H10ClNO3
Exact Mass 251.034921 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID F1krRs250El
Name 6-Chloro-1,4-dihydro-1-ethyl-4-oxo-3-quinolinecarboxylic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 251.034920883 u
Formula C12H10ClNO3
InChI InChI=1S/C12H10ClNO3/c1-2-14-6-9(12(16)17)11(15)8-5-7(13)3-4-10(8)14/h3-6H,2H2,1H3,(H,16,17)
InChIKey YVRGGPBWRTYCDP-UHFFFAOYSA-N
Molecular Weight 251.669 g/mol
SMILES OC(C1=CN(C=2C=CC(=CC2C1=O)Cl)CC)=O
Spectrum/Structure Validation Score (Raman) 0.846818