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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 4kSD8WTmZEt
Name 2-[6-(tert-Butyl)-1-oxo-3-phenylisoquinolin-2(1H)-yl]-pyridine-2-oxide
Appearance White solid
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Exact Mass 370.168127954 u
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/anie.201712647
Molecular Weight 370.452 g/mol
Quality 133
Reported Formula C24H22N2O2
SMILES C1=CC2=C(C=C1C(C)(C)C)C=C(N(C2=O)C=1[N+](=CC=CC1)[O-])C=1C=CC=CC1
SPLASH splash10-001i-3933000000-58355b6bb52202864b1c
Source of Spectrum ACI-57-SM9-3fa (DOI: 10.1002/anie.201712647)
Wiley ID 1891217