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2,3,8,8a-tetrahydrocyclopenta[ij]isoquinolin-7(1H)-one

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

2,3,8,8a-tetrahydrocyclopenta[ij]isoquinolin-7(1H)-one
SpectraBase Compound ID DOJDKQdpAvW
InChI InChI=1S/C11H11NO/c13-10-6-9-11-7(4-5-12-9)2-1-3-8(10)11/h1-3,9,12H,4-6H2
InChIKey CQWOTKCLUYJOPP-UHFFFAOYSA-N
Mol Weight 173.21 g/mol
Molecular Formula C11H11NO
Exact Mass 173.084064 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9qaLs6Ju02Q
Name 2,3,8,8A-Tetrahydrocyclopenta[ij]isoquinolin-7(1H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 173.084063977 u
Formula C11H11NO
InChI InChI=1S/C11H11NO/c13-10-6-9-11-7(4-5-12-9)2-1-3-8(10)11/h1-3,9,12H,4-6H2
InChIKey CQWOTKCLUYJOPP-UHFFFAOYSA-N
Molecular Weight 173.215 g/mol
SMILES C12C=3C(=CC=CC3CCN1)C(C2)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.907863