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(2E,4E)-2-methyl-5-(9-tetrahydropyran-2-ylpurin-6-yl)penta-2,4-dienoic acid methyl ester
SpectraBase Compound ID JLZrJCHlYQ1
InChI InChI=1S/C17H20N4O3/c1-12(17(22)23-2)6-5-7-13-15-16(19-10-18-13)21(11-20-15)14-8-3-4-9-24-14/h5-7,10-11,14H,3-4,8-9H2,1-2H3/b7-5+,12-6+
InChIKey HZNOGRBPYGSGQW-YTEPGLGFSA-N
Mol Weight 328.37 g/mol
Molecular Formula C17H20N4O3
Exact Mass 328.153541 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6JFYThDGelA
Name (2E,4E)-2-methyl-5-(9-tetrahydropyran-2-ylpurin-6-yl)penta-2,4-dienoic acid methyl ester
Alternate Name(s) (2E,4E)-2-methyl-5-[9-(2-oxanyl)-6-purinyl]penta-2,4-dienoic acid methyl ester Methyl (2E,4E)-2-methyl-5-(9-tetrahydropyran-2-ylpurin-6-yl)penta-2,4-dienoate Methyl (2E,4E)-2-methyl-5-[9-(oxan-2-yl)purin-6-yl]penta-2,4-dienoate
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Formula C17H20N4O3
InChI InChI=1S/C17H20N4O3/c1-12(17(22)23-2)6-5-7-13-15-16(19-10-18-13)21(11-20-15)14-8-3-4-9-24-14/h5-7,10-11,14H,3-4,8-9H2,1-2H3/b7-5+,12-6+
InChIKey HZNOGRBPYGSGQW-YTEPGLGFSA-N
Molecular Weight 328.372 g/mol
SMILES c12[n](cnc2c(\C=C\C=C\(C(=O)OC)C)ncn1)C1OCCCC1
SPLASH splash10-000i-2920000000-777bf255a23fa718824c
Source of Spectrum F-55-222-7
Wiley ID 836426