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5-Isobutoxycarbonylmethyl-2-methyl-1-ureido-1H-pyrrole-3-carboxylic acid ethyl ester
SpectraBase Compound ID DspN1fblK5T
InChI InChI=1S/C15H23N3O5/c1-5-22-14(20)12-6-11(7-13(19)23-8-9(2)3)18(10(12)4)17-15(16)21/h6,9H,5,7-8H2,1-4H3,(H3,16,17,21)
InChIKey AYHPILNLJNCEBA-UHFFFAOYSA-N
Mol Weight 325.36 g/mol
Molecular Formula C15H23N3O5
Exact Mass 325.163771 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Khwzui9Yw2j
Name 5-Isobutoxycarbonylmethyl-2-methyl-1-ureido-1H-pyrrole-3-carboxylic acid ethyl ester
Alternate Name(s) Ethyl 5-(2-isobutoxy-2-oxoethyl)-2-methyl-1-ureido-1H-pyrrole-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H23N3O5
InChI InChI=1S/C15H23N3O5/c1-5-22-14(20)12-6-11(7-13(19)23-8-9(2)3)18(10(12)4)17-15(16)21/h6,9H,5,7-8H2,1-4H3,(H3,16,17,21)
InChIKey AYHPILNLJNCEBA-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200800097
Molecular Weight 325.365 g/mol
SMILES N(C(=O)N)[n]1c(c(cc1CC(=O)OCC(C)C)C(=O)OCC)C
SPLASH splash10-060r-0391000000-7c2e1036f761a81f9836
Source of Spectrum ASC-350-1331/SM4-3c
Wiley ID 1766360