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2-(4-Methylbenzyl)isoquinolin-1(2H)-one
SpectraBase Compound ID BTVNhWrrz8n
InChI InChI=1S/C17H15NO/c1-13-6-8-14(9-7-13)12-18-11-10-15-4-2-3-5-16(15)17(18)19/h2-11H,12H2,1H3
InChIKey RQLUGKPNIUHFBE-UHFFFAOYSA-N
Mol Weight 249.31 g/mol
Molecular Formula C17H15NO
Exact Mass 249.115364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B8LMCWY81G
Name 2-(4-Methylbenzyl)isoquinolin-1(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15NO
InChI InChI=1S/C17H15NO/c1-13-6-8-14(9-7-13)12-18-11-10-15-4-2-3-5-16(15)17(18)19/h2-11H,12H2,1H3
InChIKey RQLUGKPNIUHFBE-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.orglett.6b00646
Molecular Weight 249.313 g/mol
SMILES C1(N(C=Cc2ccccc12)Cc1ccc(cc1)C)=O
SPLASH splash10-0a4i-2940000000-866d62eec50fbb877dd5
Source of Spectrum A1-18-2036/SM7-4c
Wiley ID 1805340