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Ethyl 2,2-difluoro-2-{3-(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)phenyl}acetate
SpectraBase Compound ID 2PMHXlfPOfD
InChI InChI=1S/C18H14F2N2O3/c1-2-25-17(24)18(19,20)13-7-5-6-12(10-13)14-11-16(23)22-9-4-3-8-15(22)21-14/h3-11H,2H2,1H3
InChIKey NHUXKUKIQLOWSN-UHFFFAOYSA-N
Mol Weight 344.32 g/mol
Molecular Formula C18H14F2N2O3
Exact Mass 344.097249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5jgEf1jjpPS
Name Ethyl 2,2-difluoro-2-{3-(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)phenyl}acetate
Appearance Colorless solid
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Exact Mass 344.097248642 u
Formula C18H14F2N2O3
InChI InChI=1S/C18H14F2N2O3/c1-2-25-17(24)18(19,20)13-7-5-6-12(10-13)14-11-16(23)22-9-4-3-8-15(22)21-14/h3-11H,2H2,1H3
InChIKey NHUXKUKIQLOWSN-UHFFFAOYSA-N
Instrument Name Jeol AccuTOF
Ionization Type EI
Literature Reference DOI 10.1002/anie.201801111
Molecular Weight 344.318 g/mol
Quality 94
Reported Formula C18H14F2N2O3
SMILES C1(=CC(=CC=C1)C=1N=C2N(C(C1)=O)C=CC=C2)C(C(OCC)=O)(F)F
SPLASH splash10-00di-2191000000-1f64d78ebc77a3c91ea4
Source of Spectrum ACI-57-SM51-16 (DOI: 10.1002/anie.201801111)
Wiley ID 1892947