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8-(4-tert-butylphenoxy)-1,3-dimethyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione

View entire compound with spectra: 2 NMR

8-(4-tert-butylphenoxy)-1,3-dimethyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID CwenyA3CSrQ
InChI InChI=1S/C20H26N4O3/c1-7-12-24-15-16(22(5)19(26)23(6)17(15)25)21-18(24)27-14-10-8-13(9-11-14)20(2,3)4/h8-11H,7,12H2,1-6H3
InChIKey AADPWISAOOOYBK-UHFFFAOYSA-N
Mol Weight 370.45 g/mol
Molecular Formula C20H26N4O3
Exact Mass 370.200491 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AuDI4HJcv7c
Name 8-(4-Tert-butylphenoxy)-1,3-dimethyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione
Comments Computed using HOSE algorithm
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Exact Mass 370.200490710 u
Formula C20H26N4O3
InChI InChI=1S/C20H26N4O3/c1-7-12-24-15-16(22(5)19(26)23(6)17(15)25)21-18(24)27-14-10-8-13(9-11-14)20(2,3)4/h8-11H,7,12H2,1-6H3
InChIKey AADPWISAOOOYBK-UHFFFAOYSA-N
Molecular Weight 370.453 g/mol
SMILES C12=C(C(=O)N(C(N2C)=O)C)N(CCC)C(=N1)OC1=CC=C(C(C)(C)C)C=C1