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4-(3-Benzyl-2,4-dioxo-1-phenethyl-1,2,3,4-tetrahydro-5-pyrimidinylmethyl)benzamide
SpectraBase Compound ID E2GIbEqRf8B
InChI InChI=1S/C27H25N3O3/c28-25(31)23-13-11-21(12-14-23)17-24-19-29(16-15-20-7-3-1-4-8-20)27(33)30(26(24)32)18-22-9-5-2-6-10-22/h1-14,19H,15-18H2,(H2,28,31)
InChIKey LIIGSRRSJJHQLN-UHFFFAOYSA-N
Mol Weight 439.52 g/mol
Molecular Formula C27H25N3O3
Exact Mass 439.189592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C40904VwrEf
Name 4-(3-Benzyl-2,4-dioxo-1-phenethyl-1,2,3,4-tetrahydro-5-pyrimidinylmethyl)benzamide
Comments Removed - expert review: contamination (DOP)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H25N3O3
InChI InChI=1S/C27H25N3O3/c28-25(31)23-13-11-21(12-14-23)17-24-19-29(16-15-20-7-3-1-4-8-20)27(33)30(26(24)32)18-22-9-5-2-6-10-22/h1-14,19H,15-18H2,(H2,28,31)
InChIKey LIIGSRRSJJHQLN-UHFFFAOYSA-N
Molecular Weight 439.515 g/mol
SMILES NC(c1ccc(CC=2C(N(C(N(CCc3ccccc3)C2)=O)Cc2ccccc2)=O)cc1)=O
SPLASH splash10-0a6v-9300000000-2be47c45378f881ab7ff
Source of Spectrum J-63-9120-11c
Synonyms 4-(1,3-Dibenzyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethyl)-benzamide
Wiley ID 1383280