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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H0Zn4lHkLyw
Name 1-(3-Chloranyl-4-methyl-phenyl)-4-(3-nitrophenyl)sulfonyl-piperazine
Alternate Name(s) 1-(3-Chloro-4-methyl-phenyl)-4-(3-nitrophenyl)sulfonyl-piperazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 Cc1ccc(N2CCN(S(c3cc(N(=O)=O)ccc3)(=O)=O)CC2)cc1Cl
SPLASH splash10-0a4i-3690000000-8d8c358d158d121ddd97
Wiley ID 1442867