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3-(1H-imidazol-4-yl)propyl 4-(1-pentynyl)phenyl ether
SpectraBase Compound ID BhNsptektot
InChI InChI=1S/C17H20N2O/c1-2-3-4-6-15-8-10-17(11-9-15)20-12-5-7-16-13-18-14-19-16/h8-11,13-14H,2-3,5,7,12H2,1H3,(H,18,19)
InChIKey IQSOWIZWWSJISN-UHFFFAOYSA-N
Mol Weight 268.36 g/mol
Molecular Formula C17H20N2O
Exact Mass 268.157563 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID bh7JjicogW
Name 3-(1H-Imidazol-4-yl)propyl 4-(1-pentynyl)phenyl ether
Comments Computed using HOSE algorithm
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Exact Mass 268.157563271 u
Formula C17H20N2O
InChI InChI=1S/C17H20N2O/c1-2-3-4-6-15-8-10-17(11-9-15)20-12-5-7-16-13-18-14-19-16/h8-11,13-14H,2-3,5,7,12H2,1H3,(H,18,19)
InChIKey IQSOWIZWWSJISN-UHFFFAOYSA-N
Molecular Weight 268.360 g/mol
SMILES C1=NC(=CN1)CCCOC=1C=CC(C#CCCC)=CC1