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4-(1-isoquinolyl)-1-phenethyl-4-piperidinol, benzoate(ester)
SpectraBase Compound ID 7zHGnr10wYe
InChI InChI=1S/C29H28N2O2/c32-28(25-12-5-2-6-13-25)33-29(27-26-14-8-7-11-24(26)15-19-30-27)17-21-31(22-18-29)20-16-23-9-3-1-4-10-23/h1-15,19H,16-18,20-22H2
InChIKey XJAPKZGXYLZNIK-UHFFFAOYSA-N
Mol Weight 436.56 g/mol
Molecular Formula C29H28N2O2
Exact Mass 436.215078 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 3c6UmxWjNbH
Name 4-(1-ISOQUINOLYL)-1-PHENETHYL-4-PIPERIDINOL, BENZOATE (ESTER)
Source of Sample F. D. Popp, University of Missouri, Kansas City, Missouri
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H28N2O2
InChI InChI=1S/C29H28N2O2/c32-28(25-12-5-2-6-13-25)33-29(27-26-14-8-7-11-24(26)15-19-30-27)17-21-31(22-18-29)20-16-23-9-3-1-4-10-23/h1-15,19H,16-18,20-22H2
InChIKey XJAPKZGXYLZNIK-UHFFFAOYSA-N
Literature Reference J. HETEROCYCLIC CHEM. 13, 1129(1976)
Melting Point 113-115C
Molecular Weight 436.554993
Synonyms 4-PIPERIDINOL, 4-/1-ISOQUINOLYL/- 1-PHENETHYL-, BENZOATE /ESTER/
Technique KBr WAFER