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Piperazine, 1-(4-fluorobenzoyl)-4-[(4-fluorophenyl)sulfonyl]-

View entire compound with spectra: 2 NMR

Piperazine, 1-(4-fluorobenzoyl)-4-[(4-fluorophenyl)sulfonyl]-
SpectraBase Compound ID KVIHQVTNFOK
InChI InChI=1S/C17H16F2N2O3S/c18-14-3-1-13(2-4-14)17(22)20-9-11-21(12-10-20)25(23,24)16-7-5-15(19)6-8-16/h1-8H,9-12H2
InChIKey YBTLDVMHDJOQNB-UHFFFAOYSA-N
Mol Weight 366.38 g/mol
Molecular Formula C17H16F2N2O3S
Exact Mass 366.08497 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4TYXb9w3Bv4
Name Piperazine, 1-(4-fluorobenzoyl)-4-[(4-fluorophenyl)sulfonyl]-
Comments Computed using HOSE algorithm
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Exact Mass 366.084969880 u
Formula C17H16F2N2O3S
InChI InChI=1S/C17H16F2N2O3S/c18-14-3-1-13(2-4-14)17(22)20-9-11-21(12-10-20)25(23,24)16-7-5-15(19)6-8-16/h1-8H,9-12H2
InChIKey YBTLDVMHDJOQNB-UHFFFAOYSA-N
Molecular Weight 366.383 g/mol
SMILES C=1C(F)=CC=C(C(N2CCN(S(C=3C=CC(=CC3)F)(=O)=O)CC2)=O)C1