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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CVR95GHoT2P
Name 1-[2-[1-(Phenylmethyl)-4-piperidinyl]ethyl]isoquinoline
Comments Less than 3 mono-isotopic peaks
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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(nccc2ccccc12)CCC1CCN(CC1)Cc1ccccc1
SPLASH splash10-0019-0095000000-f00eabadde6a160cceaf
Source of Spectrum E1-37-2732-21
Synonyms 1-[2-(1-benzyl-4-piperidyl)ethyl]isoquinoline 1-[2-(1-benzylpiperidin-4-yl)ethyl]isoquinoline 1-[2-[1-(phenylmethyl)piperidin-4-yl]ethyl]isoquinoline
Wiley ID 1575215