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N1-[2-Benzyl-1-methyl-5-ethoxycarbonyl)imidazol-4-yl]-N1-pyranyl-N2-benzylurea
SpectraBase Compound ID IpuAnFJAqNA
InChI InChI=1S/C27H28N4O4/c1-3-34-26(32)24-25(29-22(30(24)2)18-20-12-6-4-7-13-20)31(23-16-10-11-17-35-23)27(33)28-19-21-14-8-5-9-15-21/h4-17,23H,3,18-19H2,1-2H3,(H,28,33)
InChIKey GOXJRBBAAVEVEO-UHFFFAOYSA-N
Mol Weight 472.55 g/mol
Molecular Formula C27H28N4O4
Exact Mass 472.211055 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IoF3awiLDN
Name N1-[2-Benzyl-1-methyl-5-ethoxycarbonyl)imidazol-4-yl]-N1-pyranyl-N2-benzylurea
Comments Less than 3 mono-isotopic peaks
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Formula C27H28N4O4
InChI InChI=1S/C27H28N4O4/c1-3-34-26(32)24-25(29-22(30(24)2)18-20-12-6-4-7-13-20)31(23-16-10-11-17-35-23)27(33)28-19-21-14-8-5-9-15-21/h4-17,23H,3,18-19H2,1-2H3,(H,28,33)
InChIKey GOXJRBBAAVEVEO-UHFFFAOYSA-N
Molecular Weight 472.545 g/mol
SMILES N(C(N(c1c([n](C)c(n1)Cc1ccccc1)C(=O)OCC)C1OC=CC=C1)=O)Cc1ccccc1
SPLASH splash10-0006-0090300000-78d471d31dd25dfccf36
Source of Spectrum E2-50-1380-3
Wiley ID 1555934