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2-butyl-6-chloro-5-phenethyl-1H-pyrimidin-4-one
SpectraBase Compound ID ILQYvB2iuVR
InChI InChI=1S/C16H19ClN2O/c1-2-3-9-14-18-15(17)13(16(20)19-14)11-10-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H,18,19,20)
InChIKey MVGBVRCCPMUGMK-UHFFFAOYSA-N
Mol Weight 290.79 g/mol
Molecular Formula C16H19ClN2O
Exact Mass 290.118591 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID zwB1PhsrEM
Name 2-butyl-6-chloro-5-phenethyl-1H-pyrimidin-4-one
Alternate Name(s) 2-butyl-6-chloro-5-(2-phenylethyl)-1H-pyrimidin-4-one
Comments Less than 3 mono-isotopic peaks
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Formula C16H19ClN2O
InChI InChI=1S/C16H19ClN2O/c1-2-3-9-14-18-15(17)13(16(20)19-14)11-10-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H,18,19,20)
InChIKey MVGBVRCCPMUGMK-UHFFFAOYSA-N
Molecular Weight 290.794 g/mol
SMILES N1C(=NC(C(=C1Cl)CCc1ccccc1)=O)CCCC
SPLASH splash10-0005-0950000000-70818b0126e9726d109c
Source of Spectrum QA-46-60-43
Wiley ID 863078