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Butanoic acid, 4-[[2-[3-(1-methyl-1H-imidazol-5-yl)-3-oxopropyl]phenyl]amino]-4-oxo- , methyl ester
SpectraBase Compound ID 5EckAXO0A3Y
InChI InChI=1S/C18H21N3O4/c1-21-12-19-11-15(21)16(22)8-7-13-5-3-4-6-14(13)20-17(23)9-10-18(24)25-2/h3-6,11-12H,7-10H2,1-2H3,(H,20,23)
InChIKey JHBJSTIDBVOCLO-UHFFFAOYSA-N
Mol Weight 343.38 g/mol
Molecular Formula C18H21N3O4
Exact Mass 343.153206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HwyvwHbZbBU
Name Butanoic acid, 4-[[2-[3-(1-methyl-1H-imidazol-5-yl)-3-oxopropyl]phenyl]amino]-4-oxo- , methyl ester
Alternate Name(s) 5-(.beta.-(0-carbomethoxypropionamido)phenyl)propyl)-1-methylimidazole Methyl 4-{2-[3-(1-methyl-1H-imidazol-5-yl)-3-oxopropyl]anilino}-4-oxobutanoate
CAS Registry Number 40136-07-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21N3O4
InChI InChI=1S/C18H21N3O4/c1-21-12-19-11-15(21)16(22)8-7-13-5-3-4-6-14(13)20-17(23)9-10-18(24)25-2/h3-6,11-12H,7-10H2,1-2H3,(H,20,23)
InChIKey JHBJSTIDBVOCLO-UHFFFAOYSA-N
Molecular Weight 343.383 g/mol
SMILES N(c1c(CCC(c2[n](cnc2)C)=O)cccc1)C(=O)CCC(=O)OC
SPLASH splash10-06si-7954000000-27733537e36fdf5a424a
Source of Spectrum F-32-1094-0
Wiley ID 1337262