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6-n-Decyl-1,3,6,7-tetrahydro-1,3,7-tribenzyl-2H-purin-2-one

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6-n-Decyl-1,3,6,7-tetrahydro-1,3,7-tribenzyl-2H-purin-2-one
SpectraBase Compound ID Ct3Hytwz3cZ
InChI InChI=1S/C36H44N4O/c1-2-3-4-5-6-7-8-18-25-33-34-35(37-29-38(34)26-30-19-12-9-13-20-30)40(28-32-23-16-11-17-24-32)36(41)39(33)27-31-21-14-10-15-22-31/h9-17,19-24,29,33H,2-8,18,25-28H2,1H3
InChIKey XVHZEJWFNHAXHE-UHFFFAOYSA-N
Mol Weight 548.8 g/mol
Molecular Formula C36H44N4O
Exact Mass 548.351512 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5iZzqPWMDC3
Name 6-N-Decyl-1,3,6,7-tetrahydro-1,3,7-tribenzyl-2H-purin-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 548.351512052 u
Formula C36H44N4O
InChI InChI=1S/C36H44N4O/c1-2-3-4-5-6-7-8-18-25-33-34-35(37-29-38(34)26-30-19-12-9-13-20-30)40(28-32-23-16-11-17-24-32)36(41)39(33)27-31-21-14-10-15-22-31/h9-17,19-24,29,33H,2-8,18,25-28H2,1H3
InChIKey XVHZEJWFNHAXHE-UHFFFAOYSA-N
Molecular Weight 548.775 g/mol
SMILES C1=2N(C(=O)N(C(C2N(CC=2C=CC=CC2)C=N1)CCCCCCCCCC)CC=1C=CC=CC1)CC1=CC=CC=C1