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2-(4-fluorobenzyl)isoquinolin-1(2H)-one

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

2-(4-fluorobenzyl)isoquinolin-1(2H)-one
SpectraBase Compound ID D5p1lCtxmq5
InChI InChI=1S/C16H12FNO/c17-14-7-5-12(6-8-14)11-18-10-9-13-3-1-2-4-15(13)16(18)19/h1-10H,11H2
InChIKey LBKCHCHTSRLQMS-UHFFFAOYSA-N
Mol Weight 253.28 g/mol
Molecular Formula C16H12FNO
Exact Mass 253.090292 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IDbFRC2Mygf
Name 2-(4-Fluorobenzyl)isoquinolin-1(2H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 253.090292172 u
Formula C16H12FNO
InChI InChI=1S/C16H12FNO/c17-14-7-5-12(6-8-14)11-18-10-9-13-3-1-2-4-15(13)16(18)19/h1-10H,11H2
InChIKey LBKCHCHTSRLQMS-UHFFFAOYSA-N
Molecular Weight 253.276 g/mol
SMILES C1(N(C=CC=2C=CC=CC12)CC=1C=CC(=CC1)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.875319