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Acetamide-2,2,2-D3, N-[8-[[(4-methylphenyl)sulfonyl](2-phenylethyl)amino]octyl]-
SpectraBase Compound ID CZcNHC7NmEX
InChI InChI=1S/C25H36N2O3S/c1-22-14-16-25(17-15-22)31(29,30)27(21-18-24-12-8-7-9-13-24)20-11-6-4-3-5-10-19-26-23(2)28/h7-9,12-17H,3-6,10-11,18-21H2,1-2H3,(H,26,28)/i2D3
InChIKey FJCLZCNONSDEPN-BMSJAHLVSA-N
Mol Weight 447.7 g/mol
Molecular Formula C25H332D3N2O3S
Exact Mass 447.263494 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6AwrMHRfvyE
Name Acetamide-2,2,2-D3, N-[8-[[(4-methylphenyl)sulfonyl](2-phenylethyl)amino]octyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 447.263494436 u
Formula C25H33[2D]3N2O3S
InChI InChI=1S/C25H36N2O3S/c1-22-14-16-25(17-15-22)31(29,30)27(21-18-24-12-8-7-9-13-24)20-11-6-4-3-5-10-19-26-23(2)28/h7-9,12-17H,3-6,10-11,18-21H2,1-2H3,(H,26,28)/i2D3
InChIKey FJCLZCNONSDEPN-BMSJAHLVSA-N
Molecular Weight 447.652 g/mol
SMILES C(N(S(C=1C=CC(=CC1)C)(=O)=O)CCCCCCCCNC(=O)C([2D])([2D])[2D])CC=1C=CC=CC1