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2-(Pyren-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
SpectraBase Compound ID AsavDdML2Op
InChI InChI=1S/C24H14N2O/c27-22-14-20(25-21-6-1-2-13-26(21)22)18-11-9-17-8-7-15-4-3-5-16-10-12-19(18)24(17)23(15)16/h1-14H
InChIKey DHVCYRXZHMAVES-UHFFFAOYSA-N
Mol Weight 346.39 g/mol
Molecular Formula C24H14N2O
Exact Mass 346.110613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DyzJNAdKZBL
Name 2-(Pyren-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Appearance Colorless solid
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Exact Mass 346.110613078 u
Formula C24H14N2O
InChI InChI=1S/C24H14N2O/c27-22-14-20(25-21-6-1-2-13-26(21)22)18-11-9-17-8-7-15-4-3-5-16-10-12-19(18)24(17)23(15)16/h1-14H
InChIKey DHVCYRXZHMAVES-UHFFFAOYSA-N
Instrument Name Jeol AccuTOF
Ionization Type EI
Literature Reference DOI 10.1002/anie.201801111
Molecular Weight 346.389 g/mol
Quality 155
Reported Formula C24H14N2O
SMILES C=12C3=C4C(C=C2)=CC=CC4=CC=C3C(=CC1)C=1N=C2N(C(C1)=O)C=CC=C2
SPLASH splash10-00kb-0009000000-2205dbb1717a536f032c
Source of Spectrum ACI-57-SM11-3am (DOI: 10.1002/anie.201801111)
Wiley ID 1892971