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7-Chloro-4-[4-(phenylsulfonyl)-1-piperazinyl]quinoline

View entire compound with spectra: 2 NMR

7-Chloro-4-[4-(phenylsulfonyl)-1-piperazinyl]quinoline
SpectraBase Compound ID 6HkZJKhYB5k
InChI InChI=1S/C19H18ClN3O2S/c20-15-6-7-17-18(14-15)21-9-8-19(17)22-10-12-23(13-11-22)26(24,25)16-4-2-1-3-5-16/h1-9,14H,10-13H2
InChIKey QJRPMZWTWYPYKW-UHFFFAOYSA-N
Mol Weight 387.89 g/mol
Molecular Formula C19H18ClN3O2S
Exact Mass 387.080826 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DsROfbs5oDp
Name 7-Chloro-4-[4-(phenylsulfonyl)-1-piperazinyl]quinoline
Comments Computed using HOSE algorithm
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Exact Mass 387.080825704 u
Formula C19H18ClN3O2S
InChI InChI=1S/C19H18ClN3O2S/c20-15-6-7-17-18(14-15)21-9-8-19(17)22-10-12-23(13-11-22)26(24,25)16-4-2-1-3-5-16/h1-9,14H,10-13H2
InChIKey QJRPMZWTWYPYKW-UHFFFAOYSA-N
Molecular Weight 387.885 g/mol
SMILES C1=CC=C(S(N2CCN(CC2)C2=C3C(C=C(C=C3)Cl)=NC=C2)(=O)=O)C=C1