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Acetamide-2,2,2-D3, N-methyl-N-[7-[[(4-methylphenyl)sulfonyl](2-phenylethyl)amino]heptyl]-
SpectraBase Compound ID JkPNLnbofep
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)20-11-6-4-5-10-19-26(3)23(2)28/h7-9,12-17H,4-6,10-11,18-21H2,1-3H3/i2D3
InChIKey DYPKXYGRMVRPIC-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 LJt6zq6m92J
Name Acetamide-2,2,2-D3, N-methyl-N-[7-[[(4-methylphenyl)sulfonyl](2-phenylethyl)amino]heptyl]-
CAS Registry Number 65212-25-1
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)20-11-6-4-5-10-19-26(3)23(2)28/h7-9,12-17H,4-6,10-11,18-21H2,1-3H3/i2D3
InChIKey DYPKXYGRMVRPIC-BMSJAHLVSA-N
Molecular Weight 447.652 g/mol
SMILES C(N(S(c1ccc(cc1)C)(=O)=O)CCCCCCCN(C(=O)C([2D])([2D])[2D])C)Cc1ccccc1
SPLASH splash10-0536-3946000000-e15787b0290dcfd8e058
Source of Spectrum H-60-2430-0
Synonyms N-phenethyl-N-(7-(N'-methyl)-trideuterioacetamidoheptyl)-p-toluolsulfonamide
Wiley ID 1386046