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1-Piperazinecarboxylic acid, 4-[3-[(4-methoxyphenyl)amino]-3-oxopropyl]-, ethyl ester
SpectraBase Compound ID FzQDv4Ko8kB
InChI InChI=1S/C17H25N3O4/c1-3-24-17(22)20-12-10-19(11-13-20)9-8-16(21)18-14-4-6-15(23-2)7-5-14/h4-7H,3,8-13H2,1-2H3,(H,18,21)
InChIKey QOGMSGDSEDXMQN-UHFFFAOYSA-N
Mol Weight 335.4 g/mol
Molecular Formula C17H25N3O4
Exact Mass 335.184506 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID cRYHQ19eMu
Name 1-Piperazinecarboxylic acid, 4-[3-[(4-methoxyphenyl)amino]-3-oxopropyl]-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 335.184506293 u
Formula C17H25N3O4
InChI InChI=1S/C17H25N3O4/c1-3-24-17(22)20-12-10-19(11-13-20)9-8-16(21)18-14-4-6-15(23-2)7-5-14/h4-7H,3,8-13H2,1-2H3,(H,18,21)
InChIKey QOGMSGDSEDXMQN-UHFFFAOYSA-N
Molecular Weight 335.404 g/mol
SMILES N(C(CCN1CCN(C(=O)OCC)CC1)=O)C1=CC=C(C=C1)OC