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Ethyl 2-((1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)acrylate
SpectraBase Compound ID 13wy0Xl5VTQ
InChI InChI=1S/C14H18N4O4/c1-6-22-13(20)8(2)7-9-15-11-10(16(9)3)12(19)18(5)14(21)17(11)4/h2,6-7H2,1,3-5H3
InChIKey QIBCNIZKLPFYEB-UHFFFAOYSA-N
Mol Weight 306.32 g/mol
Molecular Formula C14H18N4O4
Exact Mass 306.132805 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5mgsMF3UYbZ
Name Ethyl 2-((1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)acrylate
Alternate Name(s) 2-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)methyl]-2-propenoic acid ethyl ester Ethyl 2-[(1,3,7-trimethyl-2,6-dioxopurin-8-yl)methyl]prop-2-enoate Ethyl 2-[(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)methyl]prop-2-enoate Ethyl 2-[[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl]prop-2-enoate
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Formula C14H18N4O4
InChI InChI=1S/C14H18N4O4/c1-6-22-13(20)8(2)7-9-15-11-10(16(9)3)12(19)18(5)14(21)17(11)4/h2,6-7H2,1,3-5H3
InChIKey QIBCNIZKLPFYEB-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol900342a
Molecular Weight 306.322 g/mol
SMILES C1(N(C(c2[n](c(nc2N1C)CC(=C)C(OCC)=O)C)=O)C)=O
SPLASH splash10-053r-0096000000-830774641ad56ba2874d
Source of Spectrum A1-11-1837/SM14-14b
Wiley ID 1756694