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2-Benzyl-8-fluoro-3-methylisoquinolin-1(2H)-one

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

2-Benzyl-8-fluoro-3-methylisoquinolin-1(2H)-one
SpectraBase Compound ID LfuVqzsHf2Q
InChI InChI=1S/C17H14FNO/c1-12-10-14-8-5-9-15(18)16(14)17(20)19(12)11-13-6-3-2-4-7-13/h2-10H,11H2,1H3
InChIKey IJRMAAARBGFXQD-UHFFFAOYSA-N
Mol Weight 267.3 g/mol
Molecular Formula C17H14FNO
Exact Mass 267.105942 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C8INmwouq0X
Name 2-Benzyl-8-fluoro-3-methylisoquinolin-1(2H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 267.105942237 u
Formula C17H14FNO
InChI InChI=1S/C17H14FNO/c1-12-10-14-8-5-9-15(18)16(14)17(20)19(12)11-13-6-3-2-4-7-13/h2-10H,11H2,1H3
InChIKey IJRMAAARBGFXQD-UHFFFAOYSA-N
Molecular Weight 267.303 g/mol
SMILES C1(N(C(=CC=2C=CC=C(C12)F)C)CC=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.903198