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1-(1,3-Benzodioxol-5-ylmethyl)-4-[2-(2,4-dichlorophenoxy)propanoyl]piperazine

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1-(1,3-Benzodioxol-5-ylmethyl)-4-[2-(2,4-dichlorophenoxy)propanoyl]piperazine
SpectraBase Compound ID GMTfAVvx759
InChI InChI=1S/C21H22Cl2N2O4/c1-14(29-18-5-3-16(22)11-17(18)23)21(26)25-8-6-24(7-9-25)12-15-2-4-19-20(10-15)28-13-27-19/h2-5,10-11,14H,6-9,12-13H2,1H3
InChIKey GIJBIGSRCDGFKP-UHFFFAOYSA-N
Mol Weight 437.32 g/mol
Molecular Formula C21H22Cl2N2O4
Exact Mass 436.095663 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JFafIZ7tEhe
Name 1-(1,3-Benzodioxol-5-ylmethyl)-4-[2-(2,4-dichlorophenoxy)propanoyl]piperazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.095662592 u
Formula C21H22Cl2N2O4
InChI InChI=1S/C21H22Cl2N2O4/c1-14(29-18-5-3-16(22)11-17(18)23)21(26)25-8-6-24(7-9-25)12-15-2-4-19-20(10-15)28-13-27-19/h2-5,10-11,14H,6-9,12-13H2,1H3
InChIKey GIJBIGSRCDGFKP-UHFFFAOYSA-N
Molecular Weight 437.323 g/mol
SMILES CC(OC=1C(=CC(=CC1)Cl)Cl)C(=O)N1CCN(CC1)CC1=CC=2OCOC2C=C1