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2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurin-7-yl)-N-(1,4,4-trimethylpentyl)acetamide
SpectraBase Compound ID CHvMFfOF0oz
InChI InChI=1S/C17H27N5O3/c1-11(7-8-17(2,3)4)19-12(23)9-22-10-18-14-13(22)15(24)21(6)16(25)20(14)5/h10-11H,7-9H2,1-6H3,(H,19,23)
InChIKey LLJUFTXUCXNTPF-UHFFFAOYSA-N
Mol Weight 349.44 g/mol
Molecular Formula C17H27N5O3
Exact Mass 349.21139 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BNNE63KI7Dg
Name 2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurin-7-yl)-N-(1,4,4-trimethylpentyl)acetamide
Comments Computed using HOSE algorithm
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Exact Mass 349.211389746 u
Formula C17H27N5O3
InChI InChI=1S/C17H27N5O3/c1-11(7-8-17(2,3)4)19-12(23)9-22-10-18-14-13(22)15(24)21(6)16(25)20(14)5/h10-11H,7-9H2,1-6H3,(H,19,23)
InChIKey LLJUFTXUCXNTPF-UHFFFAOYSA-N
Molecular Weight 349.435 g/mol
SMILES C1(N(C(C2=C(N1C)N=CN2CC(NC(CCC(C)(C)C)C)=O)=O)C)=O