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1-[2-(2,4-Dichlorophenoxy)propanoyl]-4-(4-fluorophenyl)piperazine
SpectraBase Compound ID EsD06AZczmV
InChI InChI=1S/C19H19Cl2FN2O2/c1-13(26-18-7-2-14(20)12-17(18)21)19(25)24-10-8-23(9-11-24)16-5-3-15(22)4-6-16/h2-7,12-13H,8-11H2,1H3
InChIKey VYZSSZOGROBGKG-UHFFFAOYSA-N
Mol Weight 397.28 g/mol
Molecular Formula C19H19Cl2FN2O2
Exact Mass 396.080761 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BrkctVbxBV6
Name 1-[2-(2,4-Dichlorophenoxy)propanoyl]-4-(4-fluorophenyl)piperazine
Comments Computed using HOSE algorithm
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Exact Mass 396.080761421 u
Formula C19H19Cl2FN2O2
InChI InChI=1S/C19H19Cl2FN2O2/c1-13(26-18-7-2-14(20)12-17(18)21)19(25)24-10-8-23(9-11-24)16-5-3-15(22)4-6-16/h2-7,12-13H,8-11H2,1H3
InChIKey VYZSSZOGROBGKG-UHFFFAOYSA-N
Molecular Weight 397.277 g/mol
SMILES CC(OC=1C(=CC(=CC1)Cl)Cl)C(=O)N1CCN(C2=CC=C(C=C2)F)CC1