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4-Hexyl-5-methoxycarbonylmethyl-2-methyl-1-ureido-1H-pyrrole-3-carboxylic acid methyl ester
SpectraBase Compound ID 987ukTL1dMc
InChI InChI=1S/C17H27N3O5/c1-5-6-7-8-9-12-13(10-14(21)24-3)20(19-17(18)23)11(2)15(12)16(22)25-4/h5-10H2,1-4H3,(H3,18,19,23)
InChIKey DJNNXEAPKPQHSZ-UHFFFAOYSA-N
Mol Weight 353.42 g/mol
Molecular Formula C17H27N3O5
Exact Mass 353.195071 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iblc60FXqeh
Name 4-Hexyl-5-methoxycarbonylmethyl-2-methyl-1-ureido-1H-pyrrole-3-carboxylic acid methyl ester
Alternate Name(s) Methyl 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 C17H27N3O5
InChI InChI=1S/C17H27N3O5/c1-5-6-7-8-9-12-13(10-14(21)24-3)20(19-17(18)23)11(2)15(12)16(22)25-4/h5-10H2,1-4H3,(H3,18,19,23)
InChIKey DJNNXEAPKPQHSZ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200800097
Molecular Weight 353.419 g/mol
SMILES N(C(=O)N)[n]1c(c(c(c1CC(=O)OC)CCCCCC)C(=O)OC)C
SPLASH splash10-0596-0192000000-dfcbb7978358483b2177
Source of Spectrum ASC-350-1331/SM10-3o
Wiley ID 1766371