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1-piperazineacetamide, N-(2-methoxyphenyl)-4-[[4-(1-methylethyl)phenyl]sulfonyl]-
SpectraBase Compound ID 6mUE6UtPBcU
InChI InChI=1S/C22H29N3O4S/c1-17(2)18-8-10-19(11-9-18)30(27,28)25-14-12-24(13-15-25)16-22(26)23-20-6-4-5-7-21(20)29-3/h4-11,17H,12-16H2,1-3H3,(H,23,26)
InChIKey VRZDIBRGLAJJLT-UHFFFAOYSA-N
Mol Weight 431.55 g/mol
Molecular Formula C22H29N3O4S
Exact Mass 431.187878 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID VLvxP42w4O
Name 1-Piperazineacetamide, N-(2-methoxyphenyl)-4-[[4-(1-methylethyl)phenyl]sulfonyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 431.187877596 u
Formula C22H29N3O4S
InChI InChI=1S/C22H29N3O4S/c1-17(2)18-8-10-19(11-9-18)30(27,28)25-14-12-24(13-15-25)16-22(26)23-20-6-4-5-7-21(20)29-3/h4-11,17H,12-16H2,1-3H3,(H,23,26)
InChIKey VRZDIBRGLAJJLT-UHFFFAOYSA-N
Molecular Weight 431.551 g/mol
SMILES N(C(CN1CCN(S(C2=CC=C(C=C2)C(C)C)(=O)=O)CC1)=O)C1=C(OC)C=CC=C1