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1-Butyl-7-chloro-1,2-dihydro-4-hydroxy-2-oxo-3-quinolinepropionic acid

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

1-Butyl-7-chloro-1,2-dihydro-4-hydroxy-2-oxo-3-quinolinepropionic acid
SpectraBase Compound ID Ib69DDbMw9L
InChI InChI=1S/C16H18ClNO4/c1-2-3-8-18-13-9-10(17)4-5-11(13)15(21)12(16(18)22)6-7-14(19)20/h4-5,9,21H,2-3,6-8H2,1H3,(H,19,20)
InChIKey HLUPBYHXTWTVHS-UHFFFAOYSA-N
Mol Weight 323.78 g/mol
Molecular Formula C16H18ClNO4
Exact Mass 323.092436 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID ECKhWo5Gsza
Name 1-Butyl-7-chloro-1,2-dihydro-4-hydroxy-2-oxo-3-quinolinepropionic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 323.092435760 u
Formula C16H18ClNO4
InChI InChI=1S/C16H18ClNO4/c1-2-3-8-18-13-9-10(17)4-5-11(13)15(21)12(16(18)22)6-7-14(19)20/h4-5,9,21H,2-3,6-8H2,1H3,(H,19,20)
InChIKey HLUPBYHXTWTVHS-UHFFFAOYSA-N
SMILES OC1=C(CCC(=O)O)C(N(C=2C=C(C=CC12)Cl)CCCC)=O
Spectrum/Structure Validation Score (Raman) 0.940139