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4-[2-[(4-Chlorophenyl)sulfonylamino]ethyl]-1-piperazinecarboxylic acid tert-butyl ester
SpectraBase Compound ID 6PdzvE8ylzE
InChI InChI=1S/C17H26ClN3O4S/c1-17(2,3)25-16(22)21-12-10-20(11-13-21)9-8-19-26(23,24)15-6-4-14(18)5-7-15/h4-7,19H,8-13H2,1-3H3
InChIKey UWVJOJPZWXOIAI-UHFFFAOYSA-N
Mol Weight 403.93 g/mol
Molecular Formula C17H26ClN3O4S
Exact Mass 403.133255 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EUUvzrNEVLj
Name 4-[2-[(4-Chlorophenyl)sulfonylamino]ethyl]-1-piperazinecarboxylic acid tert-butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 403.133255199 u
Formula C17H26ClN3O4S
InChI InChI=1S/C17H26ClN3O4S/c1-17(2,3)25-16(22)21-12-10-20(11-13-21)9-8-19-26(23,24)15-6-4-14(18)5-7-15/h4-7,19H,8-13H2,1-3H3
InChIKey UWVJOJPZWXOIAI-UHFFFAOYSA-N
Molecular Weight 403.925 g/mol
SMILES CC(OC(N1CCN(CCNS(C2=CC=C(C=C2)Cl)(=O)=O)CC1)=O)(C)C