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Nicotinic acid, compound with 1,2-diphenylethylamine(1.1)

View entire compound with spectra: 2 NMR, and 1 FTIR

Nicotinic acid, compound with 1,2-diphenylethylamine(1.1)
SpectraBase Compound ID 1xZ0IIeOxuE
InChI InChI=1S/C14H15N.C6H5NO2/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12;8-6(9)5-2-1-3-7-4-5/h1-10,14H,11,15H2;1-4H,(H,8,9)
InChIKey PYNKKOOVMWMPBQ-UHFFFAOYSA-N
Mol Weight 320.39 g/mol
Molecular Formula C20H20N2O2
Exact Mass 320.152478 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7hi4PSUIlCx
Name Nicotinic acid, compound with 1,2-diphenylethylamine(1.1)
Comments Computed using HOSE algorithm
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Exact Mass 320.152477890 u
Formula C20H20N2O2
InChI InChI=1S/C14H15N.C6H5NO2/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12;8-6(9)5-2-1-3-7-4-5/h1-10,14H,11,15H2;1-4H,(H,8,9)
InChIKey PYNKKOOVMWMPBQ-UHFFFAOYSA-N
Molecular Weight 320.392 g/mol
SMILES NC(CC1=CC=CC=C1)C=1C=CC=CC1.OC(C1=CN=CC=C1)=O