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2-[1-Oxo-3-phenyl-5,6,7,8-tetrahydroisoquinolin-2(1H)-yl]-pyridine-1-oxide
SpectraBase Compound ID 6UEQb6zvGZD
InChI InChI=1S/C20H18N2O2/c23-20-17-11-5-4-10-16(17)14-18(15-8-2-1-3-9-15)22(20)19-12-6-7-13-21(19)24/h1-3,6-9,12-14H,4-5,10-11H2
InChIKey ZJJYUQKKVCKQCU-UHFFFAOYSA-N
Mol Weight 318.38 g/mol
Molecular Formula C20H18N2O2
Exact Mass 318.136828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CJJpfbGrTs8
Name 2-[1-Oxo-3-phenyl-5,6,7,8-tetrahydroisoquinolin-2(1H)-yl]-pyridine-1-oxide
Appearance Colorless oil
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Formula C20H18N2O2
InChI InChI=1S/C20H18N2O2/c23-20-17-11-5-4-10-16(17)14-18(15-8-2-1-3-9-15)22(20)19-12-6-7-13-21(19)24/h1-3,6-9,12-14H,4-5,10-11H2
InChIKey ZJJYUQKKVCKQCU-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/cssc.202000057
Molecular Weight 318.376 g/mol
Reported Formula C20H18N2O2
SMILES C12=C(C(N(C(=C2)c2ccccc2)c2[n+](cccc2)[O-])=O)CCCC1
SPLASH splash10-00gi-5793000000-7f37a67b9ccfa18c10a9
Source of Spectrum CSC-13-SM17-3ma
Wiley ID 1840071