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

View entire compound with spectra: 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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CP8vnYaibQ5
Name 2-(4-fluorobenzyl)isoquinolin-1(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Literature Reference DOI 10.1021/acs.orglett.6b00646
Molecular Weight 253.276 g/mol
SMILES C1(N(C=Cc2ccccc12)Cc1ccc(cc1)F)=O
SPLASH splash10-0pb9-1950000000-fa69d623c90f3dde2720
Source of Spectrum A1-18-2036/SM8-4f
Wiley ID 1805343