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1-[(4-Chlorophenyl)sulfonyl]-4-(2,3-dimethylphenyl)piperazine

View entire compound with spectra: 2 NMR

1-[(4-Chlorophenyl)sulfonyl]-4-(2,3-dimethylphenyl)piperazine
SpectraBase Compound ID Lktpgvgtlwt
InChI InChI=1S/C18H21ClN2O2S/c1-14-4-3-5-18(15(14)2)20-10-12-21(13-11-20)24(22,23)17-8-6-16(19)7-9-17/h3-9H,10-13H2,1-2H3
InChIKey VSYAXDIQLBTGCH-UHFFFAOYSA-N
Mol Weight 364.89 g/mol
Molecular Formula C18H21ClN2O2S
Exact Mass 364.101227 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DNrg3aKijCU
Name 1-[(4-Chlorophenyl)sulfonyl]-4-(2,3-dimethylphenyl)piperazine
Comments Computed using HOSE algorithm
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Exact Mass 364.101226796 u
Formula C18H21ClN2O2S
InChI InChI=1S/C18H21ClN2O2S/c1-14-4-3-5-18(15(14)2)20-10-12-21(13-11-20)24(22,23)17-8-6-16(19)7-9-17/h3-9H,10-13H2,1-2H3
InChIKey VSYAXDIQLBTGCH-UHFFFAOYSA-N
Molecular Weight 364.891 g/mol
SMILES CC=1C(=C(N2CCN(S(C=3C=CC(Cl)=CC3)(=O)=O)CC2)C=CC1)C