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2-(Quinuclidin-3-yl)-2,3,3A,4,5,6-hexahydro-1H-benzo[de]isoquinolin-1-one

View entire compound with spectra: 1 FTIR

2-(Quinuclidin-3-yl)-2,3,3A,4,5,6-hexahydro-1H-benzo[de]isoquinolin-1-one
SpectraBase Compound ID If5gVwppTp6
InChI InChI=1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2
InChIKey CPZBLNMUGSZIPR-UHFFFAOYSA-N
Mol Weight 296.41 g/mol
Molecular Formula C19H24N2O
Exact Mass 296.188863 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 83cdqhoZaj
Name 2-(Quinuclidin-3-yl)-2,3,3A,4,5,6-hexahydro-1H-benzo[de]isoquinolin-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.188863400 u
Formula C19H24N2O
InChI InChI=1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2
InChIKey CPZBLNMUGSZIPR-UHFFFAOYSA-N
SMILES C1(=O)C2=C3C(CCCC3=CC=C2)CN1C1C2CCN(CC2)C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.899546