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N-(4-Cyano-1-oxo-2-phenyl-1,2,4a,5,6,7-hexahydropyrrolo-[1,2-c]pyrimidin-3-yl)formimidic acid ethyl ester
SpectraBase Compound ID 8DMYJSC63bs
InChI InChI=1S/C17H18N4O2/c1-2-23-12-19-16-14(11-18)15-9-6-10-20(15)17(22)21(16)13-7-4-3-5-8-13/h3-5,7-8,12,15H,2,6,9-10H2,1H3/b19-12+
InChIKey AHTQANLZJJGHFL-XDHOZWIPSA-N
Mol Weight 310.36 g/mol
Molecular Formula C17H18N4O2
Exact Mass 310.142976 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DbIM0Uo7xhA
Name N-(4-Cyano-1-oxo-2-phenyl-1,2,4a,5,6,7-hexahydropyrrolo-[1,2-c]pyrimidin-3-yl)formimidic acid ethyl ester
Alternate Name(s) (1E)-N-(4-cyano-1-oxo-2-phenyl-4a,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-3-yl)methanimidic acid ethyl ester ethyl (1E)-N-(4-cyano-1-oxo-2-phenyl-4a,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-3-yl)methanimidate ethyl (1E)-N-(4-cyano-1-oxidanylidene-2-phenyl-4a,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-3-yl)methanimidate
Comments Less than 3 mono-isotopic peaks
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Formula C17H18N4O2
InChI InChI=1S/C17H18N4O2/c1-2-23-12-19-16-14(11-18)15-9-6-10-20(15)17(22)21(16)13-7-4-3-5-8-13/h3-5,7-8,12,15H,2,6,9-10H2,1H3/b19-12+
InChIKey AHTQANLZJJGHFL-XDHOZWIPSA-N
Molecular Weight 310.357 g/mol
SMILES C=1(N(C(N2C(C1C#N)CCC2)=O)c1ccccc1)\N=C\OCC
SPLASH splash10-0a4i-9002000000-7e664b38b9eda214397a
Source of Spectrum F2-44-4580-7a
Wiley ID 1705782