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Acetic acid 4-(3,4,5,6-tetrahydro-2H-[2,3']bipyridinyl-1-yl)-but-2-ynyl ester
SpectraBase Compound ID 4wPqH2N3ZUM
InChI InChI=1S/C16H20N2O2/c1-14(19)20-12-5-4-11-18-10-3-2-8-16(18)15-7-6-9-17-13-15/h6-7,9,13,16H,2-3,8,10-12H2,1H3
InChIKey AEKQCPMDROQBJU-UHFFFAOYSA-N
Mol Weight 272.35 g/mol
Molecular Formula C16H20N2O2
Exact Mass 272.152478 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G0tuLKK70qP
Name Acetic acid 4-(3,4,5,6-tetrahydro-2H-[2,3']bipyridinyl-1-yl)-but-2-ynyl ester
Comments Computed using HOSE algorithm
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Exact Mass 272.152477890 u
Formula C16H20N2O2
InChI InChI=1S/C16H20N2O2/c1-14(19)20-12-5-4-11-18-10-3-2-8-16(18)15-7-6-9-17-13-15/h6-7,9,13,16H,2-3,8,10-12H2,1H3
InChIKey AEKQCPMDROQBJU-UHFFFAOYSA-N
Molecular Weight 272.348 g/mol
SMILES C1CCN(C(C1)C1=CN=CC=C1)CC#CCOC(=O)C