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1-[2-(1-Benzyloxycarbonylpiperazinyl)-1-ethyl]-3-acetoacetylurea

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HQYkY8jUjp8
Name 1-[2-(1-Benzyloxycarbonylpiperazinyl)-1-ethyl]-3-acetoacetylurea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.190319948 u
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 C(N1CCN(CCNC(NC(CC(=O)C)=O)=O)CC1)(OCC1=CC=CC=C1)=O