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1-[(2,5-Dichlorophenyl)sulfonyl]-4-(4-fluorophenyl)piperazine
SpectraBase Compound ID EA9fqAwlh2f
InChI InChI=1S/C16H15Cl2FN2O2S/c17-12-1-6-15(18)16(11-12)24(22,23)21-9-7-20(8-10-21)14-4-2-13(19)3-5-14/h1-6,11H,7-10H2
InChIKey XCPXNUBSFOJREG-UHFFFAOYSA-N
Mol Weight 389.27 g/mol
Molecular Formula C16H15Cl2FN2O2S
Exact Mass 388.021532 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9IiIeufANBy
Name 1-[(2,5-Dichlorophenyl)sulfonyl]-4-(4-fluorophenyl)piperazine
Comments Computed using HOSE algorithm
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Exact Mass 388.021532466 u
Formula C16H15Cl2FN2O2S
InChI InChI=1S/C16H15Cl2FN2O2S/c17-12-1-6-15(18)16(11-12)24(22,23)21-9-7-20(8-10-21)14-4-2-13(19)3-5-14/h1-6,11H,7-10H2
InChIKey XCPXNUBSFOJREG-UHFFFAOYSA-N
Molecular Weight 389.272 g/mol
SMILES C=1C=C(N2CCN(S(C=3C=C(Cl)C=CC3Cl)(=O)=O)CC2)C=CC1F