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2-(3,5-dimethylbenzyl)isoquinolin-1(2H)-one
SpectraBase Compound ID IoDCDH4KlHb
InChI InChI=1S/C18H17NO/c1-13-9-14(2)11-15(10-13)12-19-8-7-16-5-3-4-6-17(16)18(19)20/h3-11H,12H2,1-2H3
InChIKey JOOIUXFADUPXIP-UHFFFAOYSA-N
Mol Weight 263.34 g/mol
Molecular Formula C18H17NO
Exact Mass 263.131014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FBb6tDmW76V
Name 2-(3,5-dimethylbenzyl)isoquinolin-1(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17NO
InChI InChI=1S/C18H17NO/c1-13-9-14(2)11-15(10-13)12-19-8-7-16-5-3-4-6-17(16)18(19)20/h3-11H,12H2,1-2H3
InChIKey JOOIUXFADUPXIP-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.orglett.6b00646
Molecular Weight 263.340 g/mol
SMILES C1(N(C=Cc2ccccc12)Cc1cc(cc(c1)C)C)=O
SPLASH splash10-02t9-3970000000-0644329fc13669ef4120
Source of Spectrum A1-18-2036/SM10-4j
Wiley ID 1805347