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1-(1,3-Benzodioxol-5-ylmethyl)-4-(2-chlorobenzoyl)piperazine

View entire compound with spectra: 2 NMR

1-(1,3-Benzodioxol-5-ylmethyl)-4-(2-chlorobenzoyl)piperazine
SpectraBase Compound ID HeTas5kL1Xk
InChI InChI=1S/C19H19ClN2O3/c20-16-4-2-1-3-15(16)19(23)22-9-7-21(8-10-22)12-14-5-6-17-18(11-14)25-13-24-17/h1-6,11H,7-10,12-13H2
InChIKey XBTMLTKISVDMIY-UHFFFAOYSA-N
Mol Weight 358.83 g/mol
Molecular Formula C19H19ClN2O3
Exact Mass 358.10842 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4ey72mGq2XI
Name 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2-chlorobenzoyl)piperazine
Comments Computed using HOSE algorithm
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Exact Mass 358.108420177 u
Formula C19H19ClN2O3
InChI InChI=1S/C19H19ClN2O3/c20-16-4-2-1-3-15(16)19(23)22-9-7-21(8-10-22)12-14-5-6-17-18(11-14)25-13-24-17/h1-6,11H,7-10,12-13H2
InChIKey XBTMLTKISVDMIY-UHFFFAOYSA-N
Molecular Weight 358.825 g/mol
SMILES C(C1=C(Cl)C=CC=C1)(N1CCN(CC1)CC1=CC=2OCOC2C=C1)=O