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4-Piperidinecarboxylic acid, 1-[1-(3-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]-
SpectraBase Compound ID 86q19S9Q8GU
InChI InChI=1S/C16H17ClN2O4/c17-11-2-1-3-12(8-11)19-14(20)9-13(15(19)21)18-6-4-10(5-7-18)16(22)23/h1-3,8,10,13H,4-7,9H2,(H,22,23)
InChIKey ODCYARGJQGXETG-UHFFFAOYSA-N
Mol Weight 336.78 g/mol
Molecular Formula C16H17ClN2O4
Exact Mass 336.087685 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7KRqal8xVwA
Name 4-Piperidinecarboxylic acid, 1-[1-(3-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]-
Comments Computed using HOSE algorithm
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Exact Mass 336.087684731 u
Formula C16H17ClN2O4
InChI InChI=1S/C16H17ClN2O4/c17-11-2-1-3-12(8-11)19-14(20)9-13(15(19)21)18-6-4-10(5-7-18)16(22)23/h1-3,8,10,13H,4-7,9H2,(H,22,23)
InChIKey ODCYARGJQGXETG-UHFFFAOYSA-N
Molecular Weight 336.775 g/mol
SMILES OC(C1CCN(C2C(N(C(C2)=O)C2=CC(Cl)=CC=C2)=O)CC1)=O