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1-(1,3-Benzodioxol-5-ylcarbonyl)-4-(3-chlorophenyl)piperazine
SpectraBase Compound ID 1VdnudK91Uj
InChI InChI=1S/C18H17ClN2O3/c19-14-2-1-3-15(11-14)20-6-8-21(9-7-20)18(22)13-4-5-16-17(10-13)24-12-23-16/h1-5,10-11H,6-9,12H2
InChIKey ZEIRMDOGVJTSDH-UHFFFAOYSA-N
Mol Weight 344.8 g/mol
Molecular Formula C18H17ClN2O3
Exact Mass 344.09277 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4rUtnNNZ3TT
Name 1-(1,3-Benzodioxol-5-ylcarbonyl)-4-(3-chlorophenyl)piperazine
Comments Computed using HOSE algorithm
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Exact Mass 344.092770112 u
Formula C18H17ClN2O3
InChI InChI=1S/C18H17ClN2O3/c19-14-2-1-3-15(11-14)20-6-8-21(9-7-20)18(22)13-4-5-16-17(10-13)24-12-23-16/h1-5,10-11H,6-9,12H2
InChIKey ZEIRMDOGVJTSDH-UHFFFAOYSA-N
Molecular Weight 344.798 g/mol
SMILES C(N1CCN(CC1)C=1C=C(Cl)C=CC1)(C1=CC=2OCOC2C=C1)=O