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6, 7-Dimethyl-3, 4-diphenyl-2-(pyridin-2-yl) isoquinolin-1(2H)-one
SpectraBase Compound ID 1ykZ3gWYrE0
InChI InChI=1S/C28H22N2O/c1-19-17-23-24(18-20(19)2)28(31)30(25-15-9-10-16-29-25)27(22-13-7-4-8-14-22)26(23)21-11-5-3-6-12-21/h3-18H,1-2H3
InChIKey VPVIRRRNQQDCEM-UHFFFAOYSA-N
Mol Weight 402.5 g/mol
Molecular Formula C28H22N2O
Exact Mass 402.173213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3RiPZJylAQj
Name 6, 7-Dimethyl-3, 4-diphenyl-2-(pyridin-2-yl) isoquinolin-1(2H)-one
Appearance Colorless solid
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Exact Mass 402.173213335 u
Formula C28H22N2O
InChI InChI=1S/C28H22N2O/c1-19-17-23-24(18-20(19)2)28(31)30(25-15-9-10-16-29-25)27(22-13-7-4-8-14-22)26(23)21-11-5-3-6-12-21/h3-18H,1-2H3
InChIKey VPVIRRRNQQDCEM-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/chem.201601101
Molecular Weight 402.497 g/mol
Reported Formula C28H22N2O
SMILES C1(N2C(=C(C=3C(C2=O)=CC(=C(C3)C)C)C2=CC=CC=C2)C2=CC=CC=C2)=CC=CC=N1
SPLASH splash10-0udi-0001900000-0fe4eeba37c0fa3dfc24
Source of Spectrum QE-22-SM25-5ja' (DOI: 10.1002/chem.201601101)
Wiley ID 1903327