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4-Hydroxy-5-(pyridine-2'-yl)[2.2]paracyclophane

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

4-Hydroxy-5-(pyridine-2'-yl)[2.2]paracyclophane
SpectraBase Compound ID JErxUkKy0fA
InChI InChI=1S/C21H19NO/c23-21-18-11-9-16-6-4-15(5-7-16)8-10-17(12-13-18)20(21)19-3-1-2-14-22-19/h1-7,12-14,23H,8-11H2
InChIKey XFGYBQYWBPBLGB-UHFFFAOYSA-N
Mol Weight 301.39 g/mol
Molecular Formula C21H19NO
Exact Mass 301.146664 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4g97DOPL8ar
Name 4-Hydroxy-5-(pyridine-2'-yl)[2.2]paracyclophane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 301.146664235 u
Formula C21H19NO
InChI InChI=1S/C21H19NO/c23-21-18-11-9-16-6-4-15(5-7-16)8-10-17(12-13-18)20(21)19-3-1-2-14-22-19/h1-7,12-14,23H,8-11H2
InChIKey XFGYBQYWBPBLGB-UHFFFAOYSA-N
SMILES C=1C=2CCC3=C(C(=C(CCC(=CC2)C1)C=C3)O)C1=NC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.891509