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5-Ethoxycarbonylmethyl-4-heptyl-2-methyl-1-ureido-1H-pyrrole-3-carboxylic acid methyl ester
SpectraBase Compound ID EXN4W9klBqS
InChI InChI=1S/C19H31N3O5/c1-5-7-8-9-10-11-14-15(12-16(23)27-6-2)22(21-19(20)25)13(3)17(14)18(24)26-4/h5-12H2,1-4H3,(H3,20,21,25)
InChIKey ANBHMWLHKRSOMG-UHFFFAOYSA-N
Mol Weight 381.47 g/mol
Molecular Formula C19H31N3O5
Exact Mass 381.226371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 434mTR2y5Ml
Name 5-Ethoxycarbonylmethyl-4-heptyl-2-methyl-1-ureido-1H-pyrrole-3-carboxylic acid methyl ester
Alternate Name(s) Methyl 5-(2-ethoxy-2-oxoethyl)-4-heptyl-2-methyl-1-ureido-1H-pyrrole-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H31N3O5
InChI InChI=1S/C19H31N3O5/c1-5-7-8-9-10-11-14-15(12-16(23)27-6-2)22(21-19(20)25)13(3)17(14)18(24)26-4/h5-12H2,1-4H3,(H3,20,21,25)
InChIKey ANBHMWLHKRSOMG-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200800097
Molecular Weight 381.473 g/mol
SMILES N(C(=O)N)[n]1c(c(c(c1CC(=O)OCC)CCCCCCC)C(=O)OC)C
SPLASH splash10-05gr-0298000000-1dc1d939207b0f8cd1da
Source of Spectrum ASC-350-1331/SM13-3t
Wiley ID 1766376