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4-(1,3-benzodioxol-5-ylmethyl)-N-(2-chlorophenyl)-1-piperazinecarboxamide

View entire compound with spectra: 2 NMR

4-(1,3-benzodioxol-5-ylmethyl)-N-(2-chlorophenyl)-1-piperazinecarboxamide
SpectraBase Compound ID Li7kAyqkksp
InChI InChI=1S/C19H20ClN3O3/c20-15-3-1-2-4-16(15)21-19(24)23-9-7-22(8-10-23)12-14-5-6-17-18(11-14)26-13-25-17/h1-6,11H,7-10,12-13H2,(H,21,24)
InChIKey SZFZEZAJFNQWSW-UHFFFAOYSA-N
Mol Weight 373.84 g/mol
Molecular Formula C19H20ClN3O3
Exact Mass 373.119319 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8GmtGTY5QgM
Name 4-(1,3-Benzodioxol-5-ylmethyl)-N-(2-chlorophenyl)-1-piperazinecarboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 373.119319213 u
Formula C19H20ClN3O3
InChI InChI=1S/C19H20ClN3O3/c20-15-3-1-2-4-16(15)21-19(24)23-9-7-22(8-10-23)12-14-5-6-17-18(11-14)26-13-25-17/h1-6,11H,7-10,12-13H2,(H,21,24)
InChIKey SZFZEZAJFNQWSW-UHFFFAOYSA-N
Molecular Weight 373.840 g/mol
SMILES N(C(N1CCN(CC1)CC1=CC=2OCOC2C=C1)=O)C1=C(Cl)C=CC=C1