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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IF9Wiv8iBS9
Name Acetamide-2,2,2-D3, N-[8-[[(4-methylphenyl)sulfonyl](2-phenylethyl)amino]octyl]-
CAS Registry Number 60405-12-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H33D3N2O3S
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 N(C(=O)C([2D])([2D])[2D])CCCCCCCCN(S(c1ccc(cc1)C)(=O)=O)CCc1ccccc1
SPLASH splash10-053r-2922000000-b0bec423c05d6c2153da
Source of Spectrum H-59-1563-4
Synonyms Mixture of:n-phenethyl-N-(8-acetamidooctyl)-p-tolvylsulfonamide andn-phenethyl-N-(8-trideuterioacetamidooctyl)-p-toluylsulfonamide Acetamide, N-[8-[[(4-methylphenyl)sulfonyl](2-phenylethyl)amino]octyl]- Mixture of N-phenylethyl-N-(8-trideuterioacetdooctyl)-p-toluylsulfonamideand N-phenylethyl-N-(8-acetamidooctyl)-p-toluylsulfonamide N-phenethyl-N-(8-acetamidooctyl)-p-toluolsulfonamide
Wiley ID 1386044