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2-[({1-[2-(1-piperidinyl)ethyl]-1H-benzimidazol-2-yl}amino)methyl]phenol
SpectraBase Compound ID XRufLGghg2
InChI InChI=1S/C21H26N4O/c26-20-11-5-2-8-17(20)16-22-21-23-18-9-3-4-10-19(18)25(21)15-14-24-12-6-1-7-13-24/h2-5,8-11,26H,1,6-7,12-16H2,(H,22,23)
InChIKey VIGMYCZZSBRQGU-UHFFFAOYSA-N
Mol Weight 350.47 g/mol
Molecular Formula C21H26N4O
Exact Mass 350.210661 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EburBPS1bQ6
Name 2-[({1-[2-(1-piperidinyl)ethyl]-1H-benzimidazol-2-yl}amino)methyl]phenol
Comments Computed using HOSE algorithm
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Exact Mass 350.210661472 u
Formula C21H26N4O
InChI InChI=1S/C21H26N4O/c26-20-11-5-2-8-17(20)16-22-21-23-18-9-3-4-10-19(18)25(21)15-14-24-12-6-1-7-13-24/h2-5,8-11,26H,1,6-7,12-16H2,(H,22,23)
InChIKey VIGMYCZZSBRQGU-UHFFFAOYSA-N
Molecular Weight 350.466 g/mol
SMILES N(C=1N(C2=CC=CC=C2N1)CCN1CCCCC1)CC=1C(=CC=CC1)O