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1,3-Dibenzyl-5-(3,5-dimethylbenzyl)pyrimidine-2,4-quinone
SpectraBase Compound ID FBypVRs4H0p
InChI InChI=1S/C27H26N2O2/c1-20-13-21(2)15-24(14-20)16-25-19-28(17-22-9-5-3-6-10-22)27(31)29(26(25)30)18-23-11-7-4-8-12-23/h3-15,19H,16-18H2,1-2H3
InChIKey NLNNELIXVBHRHJ-UHFFFAOYSA-N
Mol Weight 410.52 g/mol
Molecular Formula C27H26N2O2
Exact Mass 410.199428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6PQK2gWbEAX
Name 1,3-Dibenzyl-5-(3,5-dimethylbenzyl)pyrimidine-2,4-quinone
Alternate Name(s) 1,3-Dibenzyl-5-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione 5-[(3,5-dimethylphenyl)methyl]-1,3-bis(phenylmethyl)pyrimidine-2,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H26N2O2
InChI InChI=1S/C27H26N2O2/c1-20-13-21(2)15-24(14-20)16-25-19-28(17-22-9-5-3-6-10-22)27(31)29(26(25)30)18-23-11-7-4-8-12-23/h3-15,19H,16-18H2,1-2H3
InChIKey NLNNELIXVBHRHJ-UHFFFAOYSA-N
Molecular Weight 410.517 g/mol
SMILES C1(N(C(C(=CN1Cc1ccccc1)Cc1cc(C)cc(c1)C)=O)Cc1ccccc1)=O
SPLASH splash10-01ox-9004400000-35f1199b9578f85e1e30
Source of Spectrum J-63-9119-1
Wiley ID 1373819