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4-(4-Oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)butanenitrile
SpectraBase Compound ID B5yx6mj5So6
InChI InChI=1S/C12H11N3O/c13-7-3-1-5-10-9-12(16)15-8-4-2-6-11(15)14-10/h2,4,6,8-9H,1,3,5H2
InChIKey AYRLJQGFIUNOTQ-UHFFFAOYSA-N
Mol Weight 213.24 g/mol
Molecular Formula C12H11N3O
Exact Mass 213.090212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4tagjbCxPs
Name 4-(4-Oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)butanenitrile
Appearance Colorless solid
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Exact Mass 213.090211985 u
Formula C12H11N3O
InChI InChI=1S/C12H11N3O/c13-7-3-1-5-10-9-12(16)15-8-4-2-6-11(15)14-10/h2,4,6,8-9H,1,3,5H2
InChIKey AYRLJQGFIUNOTQ-UHFFFAOYSA-N
Instrument Name Jeol AccuTOF
Ionization Type EI
Literature Reference DOI 10.1002/anie.201801111
Molecular Weight 213.240 g/mol
Quality 120
Reported Formula C12H11N3O
SMILES C1(=O)C=C(N=C2N1C=CC=C2)CCCC#N
SPLASH splash10-03e9-2910000000-1d7b7e40700862e7c7f2
Source of Spectrum ACI-57-SM17-3ay (DOI: 10.1002/anie.201801111)
Wiley ID 1892983