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2-{3-[4-(tert-Butyl)phenyl]-1-oxoisoquinolin-2(1H)-yl}-pyridine-1-oxide
SpectraBase Compound ID AWrkT0QoTND
InChI InChI=1S/C24H22N2O2/c1-24(2,3)19-13-11-17(12-14-19)21-16-18-8-4-5-9-20(18)23(27)26(21)22-10-6-7-15-25(22)28/h4-16H,1-3H3
InChIKey DQUMITPEVJQEOX-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 35LnJRXQCje
Name 2-{3-[4-(tert-Butyl)phenyl]-1-oxoisoquinolin-2(1H)-yl}-pyridine-1-oxide
Appearance White solid
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Formula C24H22N2O2
InChI InChI=1S/C24H22N2O2/c1-24(2,3)19-13-11-17(12-14-19)21-16-18-8-4-5-9-20(18)23(27)26(21)22-10-6-7-15-25(22)28/h4-16H,1-3H3
InChIKey DQUMITPEVJQEOX-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(cc1)C=C(N(C2=O)c1[n+](cccc1)[O-])c1ccc(cc1)C(C)(C)C
SPLASH splash10-000i-4292000000-378280c0eab0a9731b84
Source of Spectrum CSC-13-SM21-3ah
Wiley ID 1840054