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2-(3-Isobutoxyphenyl)-4-quinolinecarboxylic acid

View entire compound with spectra: 2 NMR

2-(3-Isobutoxyphenyl)-4-quinolinecarboxylic acid
SpectraBase Compound ID 6pDtOrXsQED
InChI InChI=1S/C20H19NO3/c1-13(2)12-24-15-7-5-6-14(10-15)19-11-17(20(22)23)16-8-3-4-9-18(16)21-19/h3-11,13H,12H2,1-2H3,(H,22,23)
InChIKey UDFSACYGNPAQCL-UHFFFAOYSA-N
Mol Weight 321.38 g/mol
Molecular Formula C20H19NO3
Exact Mass 321.136493 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F9iwVeA1Aeu
Name 2-(3-Isobutoxyphenyl)-4-quinolinecarboxylic acid
Comments Computed using HOSE algorithm
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Exact Mass 321.136493473 u
Formula C20H19NO3
InChI InChI=1S/C20H19NO3/c1-13(2)12-24-15-7-5-6-14(10-15)19-11-17(20(22)23)16-8-3-4-9-18(16)21-19/h3-11,13H,12H2,1-2H3,(H,22,23)
InChIKey UDFSACYGNPAQCL-UHFFFAOYSA-N
Molecular Weight 321.376 g/mol
SMILES OC(C1=C2C(=NC(=C1)C=1C=C(C=CC1)OCC(C)C)C=CC=C2)=O