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1-[2-(1-Benzyloxycarbonylpiperazinyl)-1-ethyl]-3-acetoacetylurea
SpectraBase Compound ID KQL1uR2nmZz
InChI InChI=1S/C19H26N4O5/c1-15(24)13-17(25)21-18(26)20-7-8-22-9-11-23(12-10-22)19(27)28-14-16-5-3-2-4-6-16/h2-6H,7-14H2,1H3,(H2,20,21,25,26)
InChIKey DMTUOBCSLPNNKO-UHFFFAOYSA-N
Mol Weight 390.44 g/mol
Molecular Formula C19H26N4O5
Exact Mass 390.19032 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Liuvu8dQ9w0
Name 1-[2-(1-Benzyloxycarbonylpiperazinyl)-1-ethyl]-3-acetoacetylurea
Alternate Name(s) 4-[2-[[(1,3-dioxobutylamino)-oxomethyl]amino]ethyl]-1-piperazinecarboxylic acid (phenylmethyl) ester benzyl 4-[2-(3-oxobutanoylcarbamoylamino)ethyl]piperazine-1-carboxylate (phenylmethyl) 4-[2-(3-oxidanylidenebutanoylcarbamoylamino)ethyl]piperazine-1-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C19H26N4O5
InChI InChI=1S/C19H26N4O5/c1-15(24)13-17(25)21-18(26)20-7-8-22-9-11-23(12-10-22)19(27)28-14-16-5-3-2-4-6-16/h2-6H,7-14H2,1H3,(H2,20,21,25,26)
InChIKey DMTUOBCSLPNNKO-UHFFFAOYSA-N
Molecular Weight 390.440 g/mol
SMILES N(C(NC(CC(=O)C)=O)=O)CCN1CCN(C(OCc2ccccc2)=O)CC1
SPLASH splash10-00dl-0009000000-3dfd3b75589adfa78e98
Source of Spectrum E2-51-1027-2
Wiley ID 1556223