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5-Hydroxy-8-isopropyl-1,3-dimethyl-2,4,7-trioxo-2,3,4,7,8,9-hexahydro-1H-pyrimido[4,5-b]azepine-6-carbonitrile
SpectraBase Compound ID LHoVy9P0uIo
InChI InChI=1S/C14H16N4O4/c1-6(2)9-11(20)7(5-15)10(19)8-12(16-9)17(3)14(22)18(4)13(8)21/h6,9,16,19H,1-4H3
InChIKey JOVLBGXELPZNDK-UHFFFAOYSA-N
Mol Weight 304.31 g/mol
Molecular Formula C14H16N4O4
Exact Mass 304.117155 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eg8Ql2xGIjx
Name 5-Hydroxy-8-isopropyl-1,3-dimethyl-2,4,7-trioxo-2,3,4,7,8,9-hexahydro-1H-pyrimido[4,5-b]azepine-6-carbonitrile
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Formula C14H16N4O4
InChI InChI=1S/C14H16N4O4/c1-6(2)9-11(20)7(5-15)10(19)8-12(16-9)17(3)14(22)18(4)13(8)21/h6,9,16,19H,1-4H3
InChIKey JOVLBGXELPZNDK-UHFFFAOYSA-N
Molecular Weight 304.306 g/mol
SMILES N1C(C(C(=C(C2=C1N(C)C(N(C2=O)C)=O)O)C#N)=O)C(C)C
SPLASH splash10-0006-9010000000-fdfa100eeabd6ceab9b4
Source of Spectrum F4-42-2020-5c
Wiley ID 1711887