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N6-[(2'E,6'E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,6-dien-1-yl]-N6-tertbutoxy-9-methyl-9H-purin-6-amine
SpectraBase Compound ID Bi8dVyD4ZNO
InChI InChI=1S/C30H47N5O/c1-22(15-16-25-24(3)14-11-18-30(25,7)8)12-10-13-23(2)17-19-35(36-29(4,5)6)28-26-27(31-20-32-28)34(9)21-33-26/h12,17,20-21H,10-11,13-16,18-19H2,1-9H3/b22-12+,23-17+
InChIKey DOAHKLZCMSFYTK-RANSOGHASA-N
Mol Weight 493.7 g/mol
Molecular Formula C30H47N5O
Exact Mass 493.378061 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CKFoK9dZF7P
Name N6-[(2'E,6'E)-3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,6-dien-1-yl]-N6-tertbutoxy-9-methyl-9H-purin-6-amine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 493.378061152 u
Formula C30H47N5O
InChI InChI=1S/C30H47N5O/c1-22(15-16-25-24(3)14-11-18-30(25,7)8)12-10-13-23(2)17-19-35(36-29(4,5)6)28-26-27(31-20-32-28)34(9)21-33-26/h12,17,20-21H,10-11,13-16,18-19H2,1-9H3/b22-12+,23-17+
InChIKey DOAHKLZCMSFYTK-RANSOGHASA-N
Molecular Weight 493.740 g/mol
SMILES C1=NC2=C(N=CN=C2N1C)N(OC(C)(C)C)C\C=C\(CC\C=C\(CCC1=C(CCCC1(C)C)C)C)C