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steroisomer 1,3-bis(ethoxycarbonyl)-2,4-diphenacyl-1,2,3,4-tetrahydropyrimidine
SpectraBase Compound ID HUWKAjcChp9
InChI InChI=1S/C26H28N2O6/c1-3-33-25(31)27-16-15-21(22(29)17-19-11-7-5-8-12-19)28(26(32)34-4-2)24(27)23(30)18-20-13-9-6-10-14-20/h5-16,21,24H,3-4,17-18H2,1-2H3
InChIKey MMMXBVHTTKJCND-UHFFFAOYSA-N
Mol Weight 464.52 g/mol
Molecular Formula C26H28N2O6
Exact Mass 464.194737 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID yP81OrGEex
Name steroisomer 1,3-bis(ethoxycarbonyl)-2,4-diphenacyl-1,2,3,4-tetrahydropyrimidine
CAS Registry Number 116692-97-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28N2O6
InChI InChI=1S/C26H28N2O6/c1-3-33-25(31)27-16-15-21(22(29)17-19-11-7-5-8-12-19)28(26(32)34-4-2)24(27)23(30)18-20-13-9-6-10-14-20/h5-16,21,24H,3-4,17-18H2,1-2H3
InChIKey MMMXBVHTTKJCND-UHFFFAOYSA-N
Molecular Weight 464.518 g/mol
SMILES C1(N(C(C=CN1C(=O)OCC)C(Cc1ccccc1)=O)C(=O)OCC)C(Cc1ccccc1)=O
SPLASH splash10-0a4i-0924000000-e560f5b3b88662f2189c
Source of Spectrum KC-1988-729-5
Synonyms Diethyl 2,4-bis(phenylacetyl)-1,3(2H,4H)-pyrimidinedicarboxylate
Wiley ID 1391511