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1-(2,6-Diisopropylphenylimino)-3-phenylprop-2-yne
SpectraBase Compound ID KxeiZuuGDY0
InChI InChI=1S/C21H23N/c1-16(2)19-13-8-14-20(17(3)4)21(19)22-15-9-12-18-10-6-5-7-11-18/h5-8,10-11,13-17H,1-4H3/b22-15+
InChIKey SSBQLEUAXUBOIK-PXLXIMEGSA-N
Mol Weight 289.42 g/mol
Molecular Formula C21H23N
Exact Mass 289.18305 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BGEqMkPdhKo
Name 1-(2,6-Diisopropylphenylimino)-3-phenylprop-2-yne
Comments Computed using HOSE algorithm
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Exact Mass 289.183049745 u
Formula C21H23N
InChI InChI=1S/C21H23N/c1-16(2)19-13-8-14-20(17(3)4)21(19)22-15-9-12-18-10-6-5-7-11-18/h5-8,10-11,13-17H,1-4H3/b22-15+
InChIKey SSBQLEUAXUBOIK-PXLXIMEGSA-N
Molecular Weight 289.422 g/mol
SMILES C(\C=N\C=1C(=CC=CC1C(C)C)C(C)C)#CC=1C=CC=CC1