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2-Benzyl-6-(tert-butyl)isoquinolin-1(2H)-one

View entire compound with spectra: 1 MS (GC)

2-Benzyl-6-(tert-butyl)isoquinolin-1(2H)-one
SpectraBase Compound ID 2E7esYwncL0
InChI InChI=1S/C20H21NO/c1-20(2,3)17-9-10-18-16(13-17)11-12-21(19(18)22)14-15-7-5-4-6-8-15/h4-13H,14H2,1-3H3
InChIKey GTBQINNFIJNWHP-UHFFFAOYSA-N
Mol Weight 291.39 g/mol
Molecular Formula C20H21NO
Exact Mass 291.162314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BrYEKD0vLV8
Name 2-Benzyl-6-(tert-butyl)isoquinolin-1(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NO
InChI InChI=1S/C20H21NO/c1-20(2,3)17-9-10-18-16(13-17)11-12-21(19(18)22)14-15-7-5-4-6-8-15/h4-13H,14H2,1-3H3
InChIKey GTBQINNFIJNWHP-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.orglett.6b00646
Molecular Weight 291.394 g/mol
SMILES C1(N(C=Cc2cc(ccc12)C(C)(C)C)Cc1ccccc1)=O
SPLASH splash10-0006-9380000000-eaa0f6549978ea1f565b
Source of Spectrum A1-18-2036/SM11-5c
Wiley ID 1805352