For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
7-(5-amino-4-cyano-1-pyrazolyl)-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid
SpectraBase Compound ID 7rDTYqBNvgv
InChI InChI=1S/C16H12FN5O3/c1-2-21-7-10(16(24)25)14(23)9-3-11(17)13(4-12(9)21)22-15(19)8(5-18)6-20-22/h3-4,6-7H,2,19H2,1H3,(H,24,25)
InChIKey GQQMPTYGDDSYMN-UHFFFAOYSA-N
Mol Weight 341.3 g/mol
Molecular Formula C16H12FN5O3
Exact Mass 341.092417 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DJIcspKjIX5
Name 7-(5-amino-4-cyano-1-pyrazolyl)-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid
CAS Registry Number 120110-09-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12FN5O3
InChI InChI=1S/C16H12FN5O3/c1-2-21-7-10(16(24)25)14(23)9-3-11(17)13(4-12(9)21)22-15(19)8(5-18)6-20-22/h3-4,6-7H,2,19H2,1H3,(H,24,25)
InChIKey GQQMPTYGDDSYMN-UHFFFAOYSA-N
Molecular Weight 341.302 g/mol
SMILES Nc1[n](-c2c(cc3C(C(C(=O)O)=CN(c3c2)CC)=O)F)ncc1C#N
SPLASH splash10-0002-0091000000-3bcbc6cf4b1834a74103
Source of Spectrum Y-25-1545-19
Synonyms 7-(5-amino-4-cyano-pyrazol-1-yl)-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid 7-(5-amino-4-cyano-pyrazol-1-yl)-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid 7-(5-azanyl-4-cyano-pyrazol-1-yl)-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid
Wiley ID 1335785