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1-[2-[1-(Phenylmethyl)-4-piperidinyl]ethyl]isoquinoline

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-[2-[1-(Phenylmethyl)-4-piperidinyl]ethyl]isoquinoline
SpectraBase Compound ID EbTq1CmDbQC
InChI InChI=1S/C23H26N2/c1-2-6-20(7-3-1)18-25-16-13-19(14-17-25)10-11-23-22-9-5-4-8-21(22)12-15-24-23/h1-9,12,15,19H,10-11,13-14,16-18H2
InChIKey XYBJWCKGZDRJOC-UHFFFAOYSA-N
Mol Weight 330.48 g/mol
Molecular Formula C23H26N2
Exact Mass 330.209599 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9BVXQeRwiA6
Name 1-[2-[1-(Phenylmethyl)-4-piperidinyl]ethyl]isoquinoline
Comments Computed using HOSE algorithm
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Exact Mass 330.209598845 u
Formula C23H26N2
InChI InChI=1S/C23H26N2/c1-2-6-20(7-3-1)18-25-16-13-19(14-17-25)10-11-23-22-9-5-4-8-21(22)12-15-24-23/h1-9,12,15,19H,10-11,13-14,16-18H2
InChIKey XYBJWCKGZDRJOC-UHFFFAOYSA-N
Molecular Weight 330.475 g/mol
SMILES C1(=NC=CC=2C=CC=CC12)CCC1CCN(CC1)CC=1C=CC=CC1