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2-[5-(Ethoxycarbonyl)-4-methyl-1H-1-imidazolyl]malonic acid dimethyl ester
SpectraBase Compound ID 1nmIUyqNDiW
InChI InChI=1S/C12H16N2O6/c1-5-20-12(17)8-7(2)13-6-14(8)9(10(15)18-3)11(16)19-4/h6,9H,5H2,1-4H3
InChIKey BLPCWSWDJKCTFM-UHFFFAOYSA-N
Mol Weight 284.27 g/mol
Molecular Formula C12H16N2O6
Exact Mass 284.100836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1gmullz7Ro
Name 2-[5-(Ethoxycarbonyl)-4-methyl-1H-1-imidazolyl]malonic acid dimethyl ester
Alternate Name(s) Dimethyl 2-(5-(ethoxycarbonyl)-4-methyl-1H-imidazol-1-yl)malonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16N2O6
InChI InChI=1S/C12H16N2O6/c1-5-20-12(17)8-7(2)13-6-14(8)9(10(15)18-3)11(16)19-4/h6,9H,5H2,1-4H3
InChIKey BLPCWSWDJKCTFM-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol701522t
Molecular Weight 284.268 g/mol
SMILES c1([n](C(C(OC)=O)C(OC)=O)cnc1C)C(OCC)=O
SPLASH splash10-000i-0290000000-e2dcaa8096754aa546b8
Source of Spectrum A1-9-3461/SMS9-4d
Wiley ID 1758563