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2-(2-Thienyl)-4-quinolinecarboxylic acid compound with 2-phenylethanamine (1:1)

View entire compound with spectra: 2 NMR

2-(2-Thienyl)-4-quinolinecarboxylic acid compound with 2-phenylethanamine (1:1)
SpectraBase Compound ID JVBP0HMkffM
InChI InChI=1S/C14H9NO2S.C8H11N/c16-14(17)10-8-12(13-6-3-7-18-13)15-11-5-2-1-4-9(10)11;9-7-6-8-4-2-1-3-5-8/h1-8H,(H,16,17);1-5H,6-7,9H2
InChIKey ZNRGDBCIEMPPSN-UHFFFAOYSA-N
Mol Weight 376.47 g/mol
Molecular Formula C22H20N2O2S
Exact Mass 376.124549 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1VSvOZXHPrb
Name 2-(2-Thienyl)-4-quinolinecarboxylic acid compound with 2-phenylethanamine (1:1)
Comments Computed using HOSE algorithm
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Exact Mass 376.124549064 u
Formula C22H20N2O2S
InChI InChI=1S/C14H9NO2S.C8H11N/c16-14(17)10-8-12(13-6-3-7-18-13)15-11-5-2-1-4-9(10)11;9-7-6-8-4-2-1-3-5-8/h1-8H,(H,16,17);1-5H,6-7,9H2
InChIKey ZNRGDBCIEMPPSN-UHFFFAOYSA-N
Molecular Weight 376.474 g/mol
SMILES NCCC=1C=CC=CC1.OC(C=1C=C(C=2SC=CC2)N=C2C1C=CC=C2)=O