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4-Ethyl-3-phenylisoquinolin-1(2H)-one

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

4-Ethyl-3-phenylisoquinolin-1(2H)-one
SpectraBase Compound ID EVdkdTHYWBD
InChI InChI=1S/C17H15NO/c1-2-13-14-10-6-7-11-15(14)17(19)18-16(13)12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H,18,19)
InChIKey MBJUWZWWDDQJSZ-UHFFFAOYSA-N
Mol Weight 249.31 g/mol
Molecular Formula C17H15NO
Exact Mass 249.115364 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LviAiIvQuwt
Name 4-Ethyl-3-phenylisoquinolin-1(2H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 249.115364106 u
Formula C17H15NO
InChI InChI=1S/C17H15NO/c1-2-13-14-10-6-7-11-15(14)17(19)18-16(13)12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H,18,19)
InChIKey MBJUWZWWDDQJSZ-UHFFFAOYSA-N
Molecular Weight 249.313 g/mol
SMILES C1=CC=C2C(=C1)C(NC(=C2CC)C1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.939912