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2-Methyl-6-(quinolin-2-yl)pyridino[4,5-b]indole-8-carboxylic acid
SpectraBase Compound ID 9vseO8bgT48
InChI InChI=1S/C22H15N3O2/c1-12-6-8-17-14(10-12)15-11-19(22(26)27)25-21(20(15)24-17)18-9-7-13-4-2-3-5-16(13)23-18/h2-11,24H,1H3,(H,26,27)
InChIKey FPERNTAMULGKOO-UHFFFAOYSA-N
Mol Weight 353.38 g/mol
Molecular Formula C22H15N3O2
Exact Mass 353.116427 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FUHlcr86wJ4
Name 2-Methyl-6-(quinolin-2-yl)pyridino[4,5-B]indole-8-carboxylic acid
Comments Computed using HOSE algorithm
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Exact Mass 353.116426733 u
Formula C22H15N3O2
InChI InChI=1S/C22H15N3O2/c1-12-6-8-17-14(10-12)15-11-19(22(26)27)25-21(20(15)24-17)18-9-7-13-4-2-3-5-16(13)23-18/h2-11,24H,1H3,(H,26,27)
InChIKey FPERNTAMULGKOO-UHFFFAOYSA-N
Molecular Weight 353.381 g/mol
SMILES C12=C(N=C(C=C2C=2C=C(C)C=CC2N1)C(=O)O)C1=NC2=CC=CC=C2C=C1