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1,3-Dibenzyl-5-p-anisyl-pyrimidine-2,4-quinone

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

1,3-Dibenzyl-5-p-anisyl-pyrimidine-2,4-quinone
SpectraBase Compound ID HnvTQ1Fd6KW
InChI InChI=1S/C26H24N2O3/c1-31-24-14-12-20(13-15-24)16-23-19-27(17-21-8-4-2-5-9-21)26(30)28(25(23)29)18-22-10-6-3-7-11-22/h2-15,19H,16-18H2,1H3
InChIKey UHYHGUYZKLHPOQ-UHFFFAOYSA-N
Mol Weight 412.49 g/mol
Molecular Formula C26H24N2O3
Exact Mass 412.178693 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6zY6pk5lFtn
Name 1,3-Dibenzyl-5-p-anisyl-pyrimidine-2,4-quinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 412.178692638 u
Formula C26H24N2O3
InChI InChI=1S/C26H24N2O3/c1-31-24-14-12-20(13-15-24)16-23-19-27(17-21-8-4-2-5-9-21)26(30)28(25(23)29)18-22-10-6-3-7-11-22/h2-15,19H,16-18H2,1H3
InChIKey UHYHGUYZKLHPOQ-UHFFFAOYSA-N
Molecular Weight 412.489 g/mol
SMILES C1(N(C(C(=CN1CC=1C=CC=CC1)CC=1C=CC(=CC1)OC)=O)CC=1C=CC=CC1)=O