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1-piperazinecarboxamide, N-(3,4-dichlorophenyl)-4-(3-pyridinylmethyl)-
SpectraBase Compound ID DFLGviUGmLi
InChI InChI=1S/C17H18Cl2N4O/c18-15-4-3-14(10-16(15)19)21-17(24)23-8-6-22(7-9-23)12-13-2-1-5-20-11-13/h1-5,10-11H,6-9,12H2,(H,21,24)
InChIKey AWVQWJVEJKHYRZ-UHFFFAOYSA-N
Mol Weight 365.26 g/mol
Molecular Formula C17H18Cl2N4O
Exact Mass 364.085767 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DE8woD71mZm
Name 1-Piperazinecarboxamide, N-(3,4-dichlorophenyl)-4-(3-pyridinylmethyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.085766615 u
Formula C17H18Cl2N4O
InChI InChI=1S/C17H18Cl2N4O/c18-15-4-3-14(10-16(15)19)21-17(24)23-8-6-22(7-9-23)12-13-2-1-5-20-11-13/h1-5,10-11H,6-9,12H2,(H,21,24)
InChIKey AWVQWJVEJKHYRZ-UHFFFAOYSA-N
Molecular Weight 365.264 g/mol
SMILES N(C(N1CCN(CC1)CC=1C=NC=CC1)=O)C1=CC(Cl)=C(C=C1)Cl