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1-Piperazinecarboxylic acid, 4-[3-[(4-methylphenyl)amino]-3-oxopropyl]-, ethyl ester

View entire compound with spectra: 2 NMR

1-Piperazinecarboxylic acid, 4-[3-[(4-methylphenyl)amino]-3-oxopropyl]-, ethyl ester
SpectraBase Compound ID Ih0zoqH6062
InChI InChI=1S/C17H25N3O3/c1-3-23-17(22)20-12-10-19(11-13-20)9-8-16(21)18-15-6-4-14(2)5-7-15/h4-7H,3,8-13H2,1-2H3,(H,18,21)
InChIKey DGMNVVQFOPCLMK-UHFFFAOYSA-N
Mol Weight 319.41 g/mol
Molecular Formula C17H25N3O3
Exact Mass 319.189592 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 73PbbwgcPWT
Name 1-Piperazinecarboxylic acid, 4-[3-[(4-methylphenyl)amino]-3-oxopropyl]-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 319.189591674 u
Formula C17H25N3O3
InChI InChI=1S/C17H25N3O3/c1-3-23-17(22)20-12-10-19(11-13-20)9-8-16(21)18-15-6-4-14(2)5-7-15/h4-7H,3,8-13H2,1-2H3,(H,18,21)
InChIKey DGMNVVQFOPCLMK-UHFFFAOYSA-N
Molecular Weight 319.405 g/mol
SMILES N(C(CCN1CCN(C(=O)OCC)CC1)=O)C=1C=CC(=CC1)C