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1-[(2E)-3-(1,3-Benzodioxol-5-yl)-2-propenoyl]-4-[2-oxo-2-(1-pyrrolidinyl)ethyl]piperazine
SpectraBase Compound ID o2jTRe3l8P
InChI InChI=1S/C20H25N3O4/c24-19(6-4-16-3-5-17-18(13-16)27-15-26-17)23-11-9-21(10-12-23)14-20(25)22-7-1-2-8-22/h3-6,13H,1-2,7-12,14-15H2/b6-4+
InChIKey PZMLVXOVOLQCMP-GQCTYLIASA-N
Mol Weight 371.44 g/mol
Molecular Formula C20H25N3O4
Exact Mass 371.184506 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7GjQQmRLhVN
Name 1-[(2E)-3-(1,3-Benzodioxol-5-yl)-2-propenoyl]-4-[2-oxo-2-(1-pyrrolidinyl)ethyl]piperazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 371.184506293 u
Formula C20H25N3O4
InChI InChI=1S/C20H25N3O4/c24-19(6-4-16-3-5-17-18(13-16)27-15-26-17)23-11-9-21(10-12-23)14-20(25)22-7-1-2-8-22/h3-6,13H,1-2,7-12,14-15H2/b6-4+
InChIKey PZMLVXOVOLQCMP-GQCTYLIASA-N
Molecular Weight 371.437 g/mol
SMILES C(\C=C\C1=CC2=C(C=C1)OCO2)(=O)N1CCN(CC1)CC(=O)N1CCCC1