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Benzoic acid, 4-[2-(3-oxopiperazin-2-yl)acetylamino]-, ethyl ester
SpectraBase Compound ID 5bIs9oobYay
InChI InChI=1S/C15H19N3O4/c1-2-22-15(21)10-3-5-11(6-4-10)18-13(19)9-12-14(20)17-8-7-16-12/h3-6,12,16H,2,7-9H2,1H3,(H,17,20)(H,18,19)
InChIKey DYCSYFGMOVSWAT-UHFFFAOYSA-N
Mol Weight 305.33 g/mol
Molecular Formula C15H19N3O4
Exact Mass 305.137556 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Irno7u2KaAO
Name Benzoic acid, 4-[2-(3-oxopiperazin-2-yl)acetylamino]-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 305.137556100 u
Formula C15H19N3O4
InChI InChI=1S/C15H19N3O4/c1-2-22-15(21)10-3-5-11(6-4-10)18-13(19)9-12-14(20)17-8-7-16-12/h3-6,12,16H,2,7-9H2,1H3,(H,17,20)(H,18,19)
InChIKey DYCSYFGMOVSWAT-UHFFFAOYSA-N
Molecular Weight 305.334 g/mol
SMILES C1(C(CC(NC2=CC=C(C(=O)OCC)C=C2)=O)NCCN1)=O