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1-benzyl-4-(1-isoquinolyl)-4-piperidinol, benzoate(ester)(high melting isomer)
SpectraBase Compound ID BfWMS07Gyhw
InChI InChI=1S/C28H26N2O2/c31-27(24-12-5-2-6-13-24)32-28(26-25-14-8-7-11-23(25)15-18-29-26)16-19-30(20-17-28)21-22-9-3-1-4-10-22/h1-15,18H,16-17,19-21H2
InChIKey WTIRZMWPTTTYJK-UHFFFAOYSA-N
Mol Weight 422.53 g/mol
Molecular Formula C28H26N2O2
Exact Mass 422.199428 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID Du1ijM6mnIf
Name 1-BENZYL-4-(1-ISOQUINOLYL)-4-PIPERIDINOL, BENZOATE (ESTER) (HIGH MELTING ISOMER)
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 C28H26N2O2
InChI InChI=1S/C28H26N2O2/c31-27(24-12-5-2-6-13-24)32-28(26-25-14-8-7-11-23(25)15-18-29-26)16-19-30(20-17-28)21-22-9-3-1-4-10-22/h1-15,18H,16-17,19-21H2
InChIKey WTIRZMWPTTTYJK-UHFFFAOYSA-N
Literature Reference J. HETEROCYCLIC CHEM. 13, 1129(1976)
Melting Point 160-162C
Molecular Weight 422.528015
Synonyms 4-PIPERIDINOL, 1-BENZYL-4-/1-ISO- QUINOLYL/-, BENZOATE /ESTER/, /ISOMER M.P.161/
Technique KBr WAFER