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3-Fluoro-6-(quinolin-2-yl)pyridino[4,5-b]indole-8-carboxylic acid

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

3-Fluoro-6-(quinolin-2-yl)pyridino[4,5-b]indole-8-carboxylic acid
SpectraBase Compound ID L1fBVQYmZxb
InChI InChI=1S/C21H12FN3O2/c22-12-6-7-13-14-10-18(21(26)27)25-20(19(14)24-17(13)9-12)16-8-5-11-3-1-2-4-15(11)23-16/h1-10,24H,(H,26,27)
InChIKey HVSUETQCERQBQT-UHFFFAOYSA-N
Mol Weight 357.34 g/mol
Molecular Formula C21H12FN3O2
Exact Mass 357.091355 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5aIZ1p1HM7Y
Name 3-Fluoro-6-(quinolin-2-yl)pyridino[4,5-B]indole-8-carboxylic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 357.091354799 u
Formula C21H12FN3O2
InChI InChI=1S/C21H12FN3O2/c22-12-6-7-13-14-10-18(21(26)27)25-20(19(14)24-17(13)9-12)16-8-5-11-3-1-2-4-15(11)23-16/h1-10,24H,(H,26,27)
InChIKey HVSUETQCERQBQT-UHFFFAOYSA-N
Molecular Weight 357.344 g/mol
SMILES C12=C(N=C(C=C2C=2C=CC(=CC2N1)F)C(=O)O)C1=NC2=CC=CC=C2C=C1