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1-(4-(Pyrimidin-2-yl)piperazin-1-yl)hexane-1,2-dione
SpectraBase Compound ID IY9gCGnIPsH
InChI InChI=1S/C14H20N4O2/c1-2-3-5-12(19)13(20)17-8-10-18(11-9-17)14-15-6-4-7-16-14/h4,6-7H,2-3,5,8-11H2,1H3
InChIKey HZPZNYNWZPNKBA-UHFFFAOYSA-N
Mol Weight 276.34 g/mol
Molecular Formula C14H20N4O2
Exact Mass 276.158626 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5kYPntv5W0P
Name 1-(4-(Pyrimidin-2-yl)piperazin-1-yl)hexane-1,2-dione
Appearance Colorless oil
Carrier Gas Argon
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Exact Mass 276.158625898 u
Formula C14H20N4O2
InChI InChI=1S/C14H20N4O2/c1-2-3-5-12(19)13(20)17-8-10-18(11-9-17)14-15-6-4-7-16-14/h4,6-7H,2-3,5,8-11H2,1H3
InChIKey HZPZNYNWZPNKBA-UHFFFAOYSA-N
Instrument Name AMD 402
Ionization Type EI
Literature Reference DOI 10.1002/anie.202200062
Quality 197
Reported Formula C14H20N4O2
SMILES C1N(C(C(CCCC)=O)=O)CCN(C1)C1=NC=CC=N1
SPLASH splash10-0006-1920000000-410e05113418471bfb65
Source of Spectrum ACI-61-SM20-3aa (DOI: 10.1002/anie.202200062)
Thin-Layer Chromatography 0.3 (pentane/EA, 2:1)
Wiley ID 1897565