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

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6-n-Butyl-1,3,6,7-tetrahydro-1,3,7-tribenzyl-2H-purin-2-one
SpectraBase Compound ID 8OlBlUNPgqq
InChI InChI=1S/C30H32N4O/c1-2-3-19-27-28-29(31-23-32(28)20-24-13-7-4-8-14-24)34(22-26-17-11-6-12-18-26)30(35)33(27)21-25-15-9-5-10-16-25/h4-18,23,27H,2-3,19-22H2,1H3
InChIKey NFFYOYQXWJMTMS-UHFFFAOYSA-N
Mol Weight 464.6 g/mol
Molecular Formula C30H32N4O
Exact Mass 464.257612 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1NQqyZGizvM
Name 6-N-Butyl-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 464.257611665 u
Formula C30H32N4O
InChI InChI=1S/C30H32N4O/c1-2-3-19-27-28-29(31-23-32(28)20-24-13-7-4-8-14-24)34(22-26-17-11-6-12-18-26)30(35)33(27)21-25-15-9-5-10-16-25/h4-18,23,27H,2-3,19-22H2,1H3
InChIKey NFFYOYQXWJMTMS-UHFFFAOYSA-N
Molecular Weight 464.613 g/mol
SMILES C1=2N(C(=O)N(C(C2N(CC=2C=CC=CC2)C=N1)CCCC)CC=1C=CC=CC1)CC1=CC=CC=C1