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6-Phenyl-1-azabicyclo[4.4.1]undecan-11-one

View entire compound with spectra: 1 FTIR

6-Phenyl-1-azabicyclo[4.4.1]undecan-11-one
SpectraBase Compound ID 9DvhIb3x1DB
InChI InChI=1S/C16H21NO/c18-15-16(14-8-2-1-3-9-14)10-4-6-12-17(15)13-7-5-11-16/h1-3,8-9H,4-7,10-13H2
InChIKey ZZIVNKYMFGXGIF-UHFFFAOYSA-N
Mol Weight 243.35 g/mol
Molecular Formula C16H21NO
Exact Mass 243.162314 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2JkQD0UJ5HI
Name 6-Phenyl-1-azabicyclo[4.4.1]undecan-11-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 243.162314299 u
Formula C16H21NO
InChI InChI=1S/C16H21NO/c18-15-16(14-8-2-1-3-9-14)10-4-6-12-17(15)13-7-5-11-16/h1-3,8-9H,4-7,10-13H2
InChIKey ZZIVNKYMFGXGIF-UHFFFAOYSA-N
Molecular Weight 243.350 g/mol
SMILES C1N2C(C(CCC1)(CCCC2)C1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.814865