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2-(2-Thienyl)-4-quinolinecarboxylic acid compound with 4-ethoxyaniline (1:1)
SpectraBase Compound ID CONcPiUWhIg
InChI InChI=1S/C14H9NO2S.C8H11NO/c16-14(17)10-8-12(13-6-3-7-18-13)15-11-5-2-1-4-9(10)11;1-2-10-8-5-3-7(9)4-6-8/h1-8H,(H,16,17);3-6H,2,9H2,1H3
InChIKey TYKXNMKGPZBFRU-UHFFFAOYSA-N
Mol Weight 392.47 g/mol
Molecular Formula C22H20N2O3S
Exact Mass 392.119464 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J9LHTyCqMTZ
Name 2-(2-Thienyl)-4-quinolinecarboxylic acid compound with 4-ethoxyaniline (1:1)
Comments Computed using HOSE algorithm
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Exact Mass 392.119463683 u
Formula C22H20N2O3S
InChI InChI=1S/C14H9NO2S.C8H11NO/c16-14(17)10-8-12(13-6-3-7-18-13)15-11-5-2-1-4-9(10)11;1-2-10-8-5-3-7(9)4-6-8/h1-8H,(H,16,17);3-6H,2,9H2,1H3
InChIKey TYKXNMKGPZBFRU-UHFFFAOYSA-N
Molecular Weight 392.473 g/mol
SMILES NC=1C=CC(=CC1)OCC.OC(C=1C=C(C=2SC=CC2)N=C2C1C=CC=C2)=O