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2,5-Dimethyl-3-methoxycarbonyl-4-[(4-methoxyphenyl)aminocarbonyl]-1-[N-(tert-butoxycarbonyl)amino]pyrrole
SpectraBase Compound ID KsppVvKYkSZ
InChI InChI=1S/C21H27N3O6/c1-12-16(18(25)22-14-8-10-15(28-6)11-9-14)17(19(26)29-7)13(2)24(12)23-20(27)30-21(3,4)5/h8-11H,1-7H3,(H,22,25)(H,23,27)
InChIKey BWVSBBYLZSOFRV-UHFFFAOYSA-N
Mol Weight 417.46 g/mol
Molecular Formula C21H27N3O6
Exact Mass 417.189986 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lm4XRWJLDoa
Name 2,5-Dimethyl-3-methoxycarbonyl-4-[(4-methoxyphenyl)aminocarbonyl]-1-[N-(tert-butoxycarbonyl)amino]pyrrole
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Formula C21H27N3O6
InChI InChI=1S/C21H27N3O6/c1-12-16(18(25)22-14-8-10-15(28-6)11-9-14)17(19(26)29-7)13(2)24(12)23-20(27)30-21(3,4)5/h8-11H,1-7H3,(H,22,25)(H,23,27)
InChIKey BWVSBBYLZSOFRV-UHFFFAOYSA-N
Molecular Weight 417.462 g/mol
SMILES N(C(c1c(c([n](c1C)NC(=O)OC(C)(C)C)C)C(=O)OC)=O)c1ccc(cc1)OC
SPLASH splash10-000i-0092200000-f8dfbba1ead6f0006723
Source of Spectrum KC-57-5861-14
Synonyms Methyl 1-[(tert-butoxycarbonyl)amino]-4-[(4-methoxyanilino)carbonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
Wiley ID 1624971