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2-(3-Benzyl-2,4-dioxo-1-phenethyl-1,2,3,4-tetrahydro-5-pyrimidinylmethyl)benzoic acid
SpectraBase Compound ID RRYgNp90hC
InChI InChI=1S/C26H22N2O4/c29-24-22(15-21-13-7-8-14-23(21)25(30)31)18-27(16-19-9-3-1-4-10-19)26(32)28(24)17-20-11-5-2-6-12-20/h1-14,18H,15-17H2,(H,30,31)
InChIKey MYSYSADLIPTWAR-UHFFFAOYSA-N
Mol Weight 426.47 g/mol
Molecular Formula C26H22N2O4
Exact Mass 426.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EeY80LnVLvS
Name 2-(3-Benzyl-2,4-dioxo-1-phenethyl-1,2,3,4-tetrahydro-5-pyrimidinylmethyl)benzoic acid
Alternate Name(s) 2-(3-Benzyl-2,4-dioxo-1-benzyl-1,2,3,4-tetrahydro-5-pyrimidinyl-methyl)-benzoic acid 2-[[2,4-dioxo-1,3-bis(phenylmethyl)-5-pyrimidinyl]methyl]benzoic acid 2-[(1,3-dibenzyl-2,4-dioxopyrimidin-5-yl)methyl]benzoic acid 2-[(1,3-dibenzyl-2,4-dioxo-pyrimidin-5-yl)methyl]benzoic acid 2-[[2,4-bis(oxidanylidene)-1,3-bis(phenylmethyl)pyrimidin-5-yl]methyl]benzoic acid
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Formula C26H22N2O4
InChI InChI=1S/C26H22N2O4/c29-24-22(15-21-13-7-8-14-23(21)25(30)31)18-27(16-19-9-3-1-4-10-19)26(32)28(24)17-20-11-5-2-6-12-20/h1-14,18H,15-17H2,(H,30,31)
InChIKey MYSYSADLIPTWAR-UHFFFAOYSA-N
Molecular Weight 426.472 g/mol
SMILES OC(c1c(CC=2C(N(C(N(Cc3ccccc3)C2)=O)Cc2ccccc2)=O)cccc1)=O
SPLASH splash10-002f-9102500000-ce90e6bd7ddc7b5513b0
Source of Spectrum J-63-9120-11
Wiley ID 1380035