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2,2'-(Hexane-1,6-diyl)bis(4H-pyrido[1,2-a]pyrimidin-4-one)
SpectraBase Compound ID 9tJBVhoq4dl
InChI InChI=1S/C22H22N4O2/c27-21-15-17(23-19-11-5-7-13-25(19)21)9-3-1-2-4-10-18-16-22(28)26-14-8-6-12-20(26)24-18/h5-8,11-16H,1-4,9-10H2
InChIKey IVZJEZFPZVSJSM-UHFFFAOYSA-N
Mol Weight 374.44 g/mol
Molecular Formula C22H22N4O2
Exact Mass 374.174276 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9IDT0NIwm5b
Name 2,2'-(Hexane-1,6-diyl)bis(4H-pyrido[1,2-a]pyrimidin-4-one)
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.174275962 u
Formula C22H22N4O2
InChI InChI=1S/C22H22N4O2/c27-21-15-17(23-19-11-5-7-13-25(19)21)9-3-1-2-4-10-18-16-22(28)26-14-8-6-12-20(26)24-18/h5-8,11-16H,1-4,9-10H2
InChIKey IVZJEZFPZVSJSM-UHFFFAOYSA-N
Instrument Name Jeol AccuTOF
Ionization Type EI
Literature Reference DOI 10.1002/anie.201801111
Molecular Weight 374.444 g/mol
Quality 89
Reported Formula C22H22N4O2
SMILES C(CCCCCC=1N=C2N(C(C1)=O)C=CC=C2)C=1N=C2N(C(C1)=O)C=CC=C2
SPLASH splash10-0400-4974000000-cb160deb708f4b157b5e
Source of Spectrum ACI-57-SM22-3ai' (DOI: 10.1002/anie.201801111)
Wiley ID 1892964