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5-Hydroxy-8-(2-phenylethyl)-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 BIcwlPrMd7F
InChI InChI=1S/C19H18N4O4/c1-22-17-14(18(26)23(2)19(22)27)16(25)12(10-20)15(24)13(21-17)9-8-11-6-4-3-5-7-11/h3-7,13,21,25H,8-9H2,1-2H3
InChIKey YFEWUOROZMMDAY-UHFFFAOYSA-N
Mol Weight 366.38 g/mol
Molecular Formula C19H18N4O4
Exact Mass 366.132805 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5OUV9Aywteg
Name 5-Hydroxy-8-(2-phenylethyl)-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 C19H18N4O4
InChI InChI=1S/C19H18N4O4/c1-22-17-14(18(26)23(2)19(22)27)16(25)12(10-20)15(24)13(21-17)9-8-11-6-4-3-5-7-11/h3-7,13,21,25H,8-9H2,1-2H3
InChIKey YFEWUOROZMMDAY-UHFFFAOYSA-N
Molecular Weight 366.377 g/mol
SMILES N1C(C(C(=C(C2=C1N(C)C(N(C2=O)C)=O)O)C#N)=O)CCc1ccccc1
SPLASH splash10-0006-9000000000-9f7fe939a9e31061ca07
Source of Spectrum F4-42-2020-5e
Wiley ID 1674095