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2-[1-Oxo-3-(4-propylphenyl)isoquinolin-2(1H)-yl]pyridine 1-oxide
SpectraBase Compound ID 5jNjDf1edS4
InChI InChI=1S/C23H20N2O2/c1-2-7-17-11-13-18(14-12-17)21-16-19-8-3-4-9-20(19)23(26)25(21)22-10-5-6-15-24(22)27/h3-6,8-16H,2,7H2,1H3
InChIKey ZLZUMULWDNIQKU-UHFFFAOYSA-N
Mol Weight 356.43 g/mol
Molecular Formula C23H20N2O2
Exact Mass 356.152478 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Af786fzOLSK
Name 2-[1-Oxo-3-(4-propylphenyl)isoquinolin-2(1H)-yl]pyridine 1-oxide
Appearance White solid
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Formula C23H20N2O2
InChI InChI=1S/C23H20N2O2/c1-2-7-17-11-13-18(14-12-17)21-16-19-8-3-4-9-20(19)23(26)25(21)22-10-5-6-15-24(22)27/h3-6,8-16H,2,7H2,1H3
InChIKey ZLZUMULWDNIQKU-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/cssc.202000057
Molecular Weight 356.425 g/mol
Reported Formula C23H20N2O2
SMILES c1cc2c(cc1)C=C(N(C2=O)c1[n+](cccc1)[O-])c1ccc(cc1)CCC
SPLASH splash10-00fr-5089000000-6c5d0ccc122a5a062a9c
Source of Spectrum CSC-13-SM20-3ae
Wiley ID 1840052