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1-(((4-(tert-butyl)phenyl)sulfonyl)prolyl)-4-phenylpiperazine

View entire compound with spectra: 1 NMR

1-(((4-(tert-butyl)phenyl)sulfonyl)prolyl)-4-phenylpiperazine
SpectraBase Compound ID 3EactW795tS
InChI InChI=1S/C25H33N3O3S/c1-25(2,3)20-11-13-22(14-12-20)32(30,31)28-15-7-10-23(28)24(29)27-18-16-26(17-19-27)21-8-5-4-6-9-21/h4-6,8-9,11-14,23H,7,10,15-19H2,1-3H3
InChIKey CETVABQOYMDTQO-UHFFFAOYSA-N
Mol Weight 455.6 g/mol
Molecular Formula C25H33N3O3S
Exact Mass 455.224263 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Cc45kVXtc9
Name 1-(((4-(tert-butyl)phenyl)sulfonyl)prolyl)-4-phenylpiperazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 455.224263106 u
Formula C25H33N3O3S
InChI InChI=1S/C25H33N3O3S/c1-25(2,3)20-11-13-22(14-12-20)32(30,31)28-15-7-10-23(28)24(29)27-18-16-26(17-19-27)21-8-5-4-6-9-21/h4-6,8-9,11-14,23H,7,10,15-19H2,1-3H3
InChIKey CETVABQOYMDTQO-UHFFFAOYSA-N
Molecular Weight 455.617 g/mol
SMILES C1N(CCN(C1)C1=CC=CC=C1)C(=O)C1N(CCC1)S(=O)(=O)C1=CC=C(C=C1)C(C)(C)C