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2-Methyl-5-phenyl-3-methoxycarbonyl-4-(phenylaminocarbonyl)-1-[N-(tert-butoxycarbonyl)amino]pyrrole
SpectraBase Compound ID 6RyJOAgb1Wx
InChI InChI=1S/C25H27N3O5/c1-16-19(23(30)32-5)20(22(29)26-18-14-10-7-11-15-18)21(17-12-8-6-9-13-17)28(16)27-24(31)33-25(2,3)4/h6-15H,1-5H3,(H,26,29)(H,27,31)
InChIKey BVJRWDWMJWTYII-UHFFFAOYSA-N
Mol Weight 449.51 g/mol
Molecular Formula C25H27N3O5
Exact Mass 449.195071 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LHaD4HLxShB
Name 2-Methyl-5-phenyl-3-methoxycarbonyl-4-(phenylaminocarbonyl)-1-[N-(tert-butoxycarbonyl)amino]pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H27N3O5
InChI InChI=1S/C25H27N3O5/c1-16-19(23(30)32-5)20(22(29)26-18-14-10-7-11-15-18)21(17-12-8-6-9-13-17)28(16)27-24(31)33-25(2,3)4/h6-15H,1-5H3,(H,26,29)(H,27,31)
InChIKey BVJRWDWMJWTYII-UHFFFAOYSA-N
Molecular Weight 449.507 g/mol
SMILES N(C(c1c(c([n](c1-c1ccccc1)NC(=O)OC(C)(C)C)C)C(=O)OC)=O)c1ccccc1
SPLASH splash10-0002-0009000000-746cfcf23ccad5f17f49
Source of Spectrum KC-57-5861-14
Synonyms Methyl 4-(anilinocarbonyl)-1-[(tert-butoxycarbonyl)amino]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Wiley ID 1624968