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1-piperazineacetamide, 4-[(4-bromophenyl)sulfonyl]-N-[4-(phenylmethoxy)phenyl]-

View entire compound with spectra: 2 NMR

1-piperazineacetamide, 4-[(4-bromophenyl)sulfonyl]-N-[4-(phenylmethoxy)phenyl]-
SpectraBase Compound ID 1ESKB97O8iV
InChI InChI=1S/C25H26BrN3O4S/c26-21-6-12-24(13-7-21)34(31,32)29-16-14-28(15-17-29)18-25(30)27-22-8-10-23(11-9-22)33-19-20-4-2-1-3-5-20/h1-13H,14-19H2,(H,27,30)
InChIKey TXWMIAZHWMRZTH-UHFFFAOYSA-N
Mol Weight 544.46 g/mol
Molecular Formula C25H26BrN3O4S
Exact Mass 543.08274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5KhfI2xEutF
Name 1-Piperazineacetamide, 4-[(4-bromophenyl)sulfonyl]-N-[4-(phenylmethoxy)phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 543.082740499 u
Formula C25H26BrN3O4S
InChI InChI=1S/C25H26BrN3O4S/c26-21-6-12-24(13-7-21)34(31,32)29-16-14-28(15-17-29)18-25(30)27-22-8-10-23(11-9-22)33-19-20-4-2-1-3-5-20/h1-13H,14-19H2,(H,27,30)
InChIKey TXWMIAZHWMRZTH-UHFFFAOYSA-N
Molecular Weight 544.464 g/mol
SMILES N(C(CN1CCN(S(C2=CC=C(C=C2)Br)(=O)=O)CC1)=O)C=1C=CC(OCC2=CC=CC=C2)=CC1