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(2E,4E)-2-methyl-5-(7H-purin-6-yl)penta-2,4-dienoic acid methyl ester
SpectraBase Compound ID 7f2hgSmWo18
InChI InChI=1S/C12H12N4O2/c1-8(12(17)18-2)4-3-5-9-10-11(15-6-13-9)16-7-14-10/h3-7H,1-2H3,(H,13,14,15,16)/b5-3+,8-4+
InChIKey YVOVNLDJZZQKQR-MSLMYCKWSA-N
Mol Weight 244.25 g/mol
Molecular Formula C12H12N4O2
Exact Mass 244.096026 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6L0bEyay9tX
Name (2E,4E)-2-methyl-5-(7H-purin-6-yl)penta-2,4-dienoic acid methyl ester
Alternate Name(s) Methyl (2E,4E)-2-methyl-5-(7H-purin-6-yl)penta-2,4-dienoate
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Formula C12H12N4O2
InChI InChI=1S/C12H12N4O2/c1-8(12(17)18-2)4-3-5-9-10-11(15-6-13-9)16-7-14-10/h3-7H,1-2H3,(H,13,14,15,16)/b5-3+,8-4+
InChIKey YVOVNLDJZZQKQR-MSLMYCKWSA-N
Molecular Weight 244.254 g/mol
SMILES N1C(=C2C(N=C1)=NC=N2)\C=C\C=C\(C(=O)OC)C
SPLASH splash10-000i-1940000000-a6778db18db03799a2a9
Source of Spectrum F-55-222-8
Wiley ID 836425