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1-(3-Chloranyl-4-methyl-phenyl)-4-(3-nitrophenyl)sulfonyl-piperazine

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

1-(3-Chloranyl-4-methyl-phenyl)-4-(3-nitrophenyl)sulfonyl-piperazine
SpectraBase Compound ID F4nAufgzGqP
InChI InChI=1S/C17H18ClN3O4S/c1-13-5-6-14(12-17(13)18)19-7-9-20(10-8-19)26(24,25)16-4-2-3-15(11-16)21(22)23/h2-6,11-12H,7-10H2,1H3
InChIKey PVCMSCNNVXVBIV-UHFFFAOYSA-N
Mol Weight 395.86 g/mol
Molecular Formula C17H18ClN3O4S
Exact Mass 395.070655 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6T3D5NQJykM
Name 1-(3-Chloranyl-4-methyl-phenyl)-4-(3-nitrophenyl)sulfonyl-piperazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 395.070654942 u
Formula C17H18ClN3O4S
InChI InChI=1S/C17H18ClN3O4S/c1-13-5-6-14(12-17(13)18)19-7-9-20(10-8-19)26(24,25)16-4-2-3-15(11-16)21(22)23/h2-6,11-12H,7-10H2,1H3
InChIKey PVCMSCNNVXVBIV-UHFFFAOYSA-N
Molecular Weight 395.861 g/mol
SMILES CC=1C=CC(N2CCN(S(C=3C=C(N(=O)=O)C=CC3)(=O)=O)CC2)=CC1Cl