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4-Hexyl-5-methoxycarbonylmethyl-2-methyl-1-ureido-1H-pyrrole-3-carboxylic acid tert-butyl ester
SpectraBase Compound ID Latu6B6kKNR
InChI InChI=1S/C20H33N3O5/c1-7-8-9-10-11-14-15(12-16(24)27-6)23(22-19(21)26)13(2)17(14)18(25)28-20(3,4)5/h7-12H2,1-6H3,(H3,21,22,26)
InChIKey BQAZZHWHYUZFMO-UHFFFAOYSA-N
Mol Weight 395.5 g/mol
Molecular Formula C20H33N3O5
Exact Mass 395.242021 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3pGujrdJxBb
Name 4-Hexyl-5-methoxycarbonylmethyl-2-methyl-1-ureido-1H-pyrrole-3-carboxylic acid tert-butyl ester
Alternate Name(s) tert-Butyl 4-hexyl-5-(2-methoxy-2-oxoethyl)-2-methyl-1-ureido-1H-pyrrole-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H33N3O5
InChI InChI=1S/C20H33N3O5/c1-7-8-9-10-11-14-15(12-16(24)27-6)23(22-19(21)26)13(2)17(14)18(25)28-20(3,4)5/h7-12H2,1-6H3,(H3,21,22,26)
InChIKey BQAZZHWHYUZFMO-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200800097
Molecular Weight 395.500 g/mol
SMILES N(C(=O)N)[n]1c(c(c(C(=O)OC(C)(C)C)c1C)CCCCCC)CC(=O)OC
SPLASH splash10-03ea-0292000000-5c58b0de6499a0e7ba63
Source of Spectrum ASC-350-1331/SM11-3p
Wiley ID 1766372