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Piperazine, 1-(4-chloro-2-nitrophenyl)-4-phenylsulfonyl-

View entire compound with spectra: 2 NMR, and 1 MS (GC)

Piperazine, 1-(4-chloro-2-nitrophenyl)-4-phenylsulfonyl-
SpectraBase Compound ID GdN0uYpKmKP
InChI InChI=1S/C16H16ClN3O4S/c17-13-6-7-15(16(12-13)20(21)22)18-8-10-19(11-9-18)25(23,24)14-4-2-1-3-5-14/h1-7,12H,8-11H2
InChIKey NFDMPGCYBMLOGL-UHFFFAOYSA-N
Mol Weight 381.83 g/mol
Molecular Formula C16H16ClN3O4S
Exact Mass 381.055005 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7qS4J3368gr
Name Piperazine, 1-(4-chloro-2-nitrophenyl)-4-phenylsulfonyl-
Comments Computed using HOSE algorithm
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Exact Mass 381.055004877 u
Formula C16H16ClN3O4S
InChI InChI=1S/C16H16ClN3O4S/c17-13-6-7-15(16(12-13)20(21)22)18-8-10-19(11-9-18)25(23,24)14-4-2-1-3-5-14/h1-7,12H,8-11H2
InChIKey NFDMPGCYBMLOGL-UHFFFAOYSA-N
Molecular Weight 381.834 g/mol
SMILES C1=CC=C(C=C1)S(N1CCN(C2=C(N(=O)=O)C=C(Cl)C=C2)CC1)(=O)=O