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1-[3-(3,4-Dihydronaphthalen-1-yl)propyl]-4-(2-pyridinyl)piperazine
SpectraBase Compound ID 3oRuFIZ6gAg
InChI InChI=1S/C22H27N3/c1-2-11-21-19(7-1)8-5-9-20(21)10-6-14-24-15-17-25(18-16-24)22-12-3-4-13-23-22/h1-4,7,9,11-13H,5-6,8,10,14-18H2
InChIKey SGWIDXCDMRTICN-UHFFFAOYSA-N
Mol Weight 333.48 g/mol
Molecular Formula C22H27N3
Exact Mass 333.220498 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IjtAakL3c27
Name 1-[3-(3,4-Dihydronaphthalen-1-yl)propyl]-4-(2-pyridinyl)piperazine
Comments Computed using HOSE algorithm
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Exact Mass 333.220497881 u
Formula C22H27N3
InChI InChI=1S/C22H27N3/c1-2-11-21-19(7-1)8-5-9-20(21)10-6-14-24-15-17-25(18-16-24)22-12-3-4-13-23-22/h1-4,7,9,11-13H,5-6,8,10,14-18H2
InChIKey SGWIDXCDMRTICN-UHFFFAOYSA-N
Molecular Weight 333.479 g/mol
SMILES C1(N2CCN(CC2)CCCC=2C3=C(C=CC=C3)CCC2)=NC=CC=C1