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2,5-Dimethyl-3-methoxycarbonyl-4-[(4-chlorophenyl)aminocarbonyl]-1-[N-(tert-butoxycarbonyl)amino]pyrrole
SpectraBase Compound ID 9IDJwneMhdn
InChI InChI=1S/C20H24ClN3O5/c1-11-15(17(25)22-14-9-7-13(21)8-10-14)16(18(26)28-6)12(2)24(11)23-19(27)29-20(3,4)5/h7-10H,1-6H3,(H,22,25)(H,23,27)
InChIKey MMCQTHZRYFXSMX-UHFFFAOYSA-N
Mol Weight 421.88 g/mol
Molecular Formula C20H24ClN3O5
Exact Mass 421.140449 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EPeeZUaIBWi
Name 2,5-Dimethyl-3-methoxycarbonyl-4-[(4-chlorophenyl)aminocarbonyl]-1-[N-(tert-butoxycarbonyl)amino]pyrrole
Alternate Name(s) Methyl 1-[(tert-butoxycarbonyl)amino]-4-[(4-chloroanilino)carbonyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24ClN3O5
InChI InChI=1S/C20H24ClN3O5/c1-11-15(17(25)22-14-9-7-13(21)8-10-14)16(18(26)28-6)12(2)24(11)23-19(27)29-20(3,4)5/h7-10H,1-6H3,(H,22,25)(H,23,27)
InChIKey MMCQTHZRYFXSMX-UHFFFAOYSA-N
Molecular Weight 421.881 g/mol
SMILES N(C(c1c(c([n](c1C)NC(=O)OC(C)(C)C)C)C(=O)OC)=O)c1ccc(cc1)Cl
SPLASH splash10-0006-0093100000-aa336a4faaac02ea4482
Source of Spectrum KC-57-5861-14
Wiley ID 1624974