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2-[6-(tert-Butyl)-1-oxo-3-phenylisoquinolin-2(1H)-yl]-pyridine-1-oxide
SpectraBase Compound ID HeN5btVEUed
InChI InChI=1S/C24H22N2O2/c1-24(2,3)19-12-13-20-18(15-19)16-21(17-9-5-4-6-10-17)26(23(20)27)22-11-7-8-14-25(22)28/h4-16H,1-3H3
InChIKey UTTVKKGIGMPDJU-UHFFFAOYSA-N
Mol Weight 370.45 g/mol
Molecular Formula C24H22N2O2
Exact Mass 370.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FhurlAjFfEI
Name 2-[6-(tert-Butyl)-1-oxo-3-phenylisoquinolin-2(1H)-yl]-pyridine-1-oxide
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22N2O2
InChI InChI=1S/C24H22N2O2/c1-24(2,3)19-12-13-20-18(15-19)16-21(17-9-5-4-6-10-17)26(23(20)27)22-11-7-8-14-25(22)28/h4-16H,1-3H3
InChIKey UTTVKKGIGMPDJU-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/cssc.202000057
Molecular Weight 370.452 g/mol
Reported Formula C24H22N2O2
SMILES c1cc2c(cc1C(C)(C)C)C=C(N(C2=O)c1[n+](cccc1)[O-])c1ccccc1
SPLASH splash10-003r-3922000000-a41e93e113d3e7733bb9
Source of Spectrum CSC-13-SM11-3ca
Wiley ID 1840059