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2-(3,5-Dimethoxyphenyl)benzo[H]quinoline-4-carboxylic acid

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

2-(3,5-Dimethoxyphenyl)benzo[H]quinoline-4-carboxylic acid
SpectraBase Compound ID EAyj3fmLomY
InChI InChI=1S/C22H17NO4/c1-26-15-9-14(10-16(11-15)27-2)20-12-19(22(24)25)18-8-7-13-5-3-4-6-17(13)21(18)23-20/h3-12H,1-2H3,(H,24,25)
InChIKey NXRLVAHYGSANBL-UHFFFAOYSA-N
Mol Weight 359.38 g/mol
Molecular Formula C22H17NO4
Exact Mass 359.115758 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D1VGoPjeQz2
Name 2-(3,5-Dimethoxyphenyl)benzo[H]quinoline-4-carboxylic acid
Comments Computed using HOSE algorithm
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Exact Mass 359.115758027 u
Formula C22H17NO4
InChI InChI=1S/C22H17NO4/c1-26-15-9-14(10-16(11-15)27-2)20-12-19(22(24)25)18-8-7-13-5-3-4-6-17(13)21(18)23-20/h3-12H,1-2H3,(H,24,25)
InChIKey NXRLVAHYGSANBL-UHFFFAOYSA-N
Molecular Weight 359.381 g/mol
SMILES OC(C1=CC(=NC=2C=3C=CC=CC3C=CC12)C=1C=C(C=C(C1)OC)OC)=O