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2-[3-n-Hexyl-1-oxoisoquinolin-2(1H)-yl] pyridine 1-oxide
SpectraBase Compound ID C6ZjeSIxGMT
InChI InChI=1S/C20H22N2O2/c1-2-3-4-5-11-17-15-16-10-6-7-12-18(16)20(23)22(17)19-13-8-9-14-21(19)24/h6-10,12-15H,2-5,11H2,1H3
InChIKey SXEDRYGACOUMCV-UHFFFAOYSA-N
Mol Weight 322.41 g/mol
Molecular Formula C20H22N2O2
Exact Mass 322.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2s6zgURyXA
Name 2-[3-n-Hexyl-1-oxoisoquinolin-2(1H)-yl] pyridine 1-oxide
Appearance Colorless solid
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Exact Mass 322.168127954 u
Formula C20H22N2O2
InChI InChI=1S/C20H22N2O2/c1-2-3-4-5-11-17-15-16-10-6-7-12-18(16)20(23)22(17)19-13-8-9-14-21(19)24/h6-10,12-15H,2-5,11H2,1H3
InChIKey SXEDRYGACOUMCV-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/chem.201601101
Molecular Weight 322.408 g/mol
Reported Formula C20H22N2O2
SMILES C1(N2C(=CC=3C(C2=O)=CC=CC3)CCCCCC)=CC=CC=[N+]1[O-]
SPLASH splash10-0a59-0089000000-cb81a3be32cde02b4fd9
Source of Spectrum QE-22-SM5-3bb (DOI: 10.1002/chem.201601101)
Wiley ID 1903296