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N-Phenylethyl-N-(4-trideuterioacetamidobutyl)-p-toluene sulfonamide
SpectraBase Compound ID 2jDUKnBchY9
InChI InChI=1S/C21H28N2O3S/c1-18-10-12-21(13-11-18)27(25,26)23(16-7-6-15-22-19(2)24)17-14-20-8-4-3-5-9-20/h3-5,8-13H,6-7,14-17H2,1-2H3,(H,22,24)/i2D3
InChIKey DBKJXUHNTAMBKM-BMSJAHLVSA-N
Mol Weight 391.54 g/mol
Molecular Formula C21H252D3N2O3S
Exact Mass 391.200894 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GzXFACenZDc
Name N-Phenylethyl-N-(4-trideuterioacetamidobutyl)-p-toluene sulfonamide
Alternate Name(s) N-(4-((4-methyl-N-phenethylphenyl)sulfonamido)butyl)acetamide-2,2,2-d3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25D3N2O3S
InChI InChI=1S/C21H28N2O3S/c1-18-10-12-21(13-11-18)27(25,26)23(16-7-6-15-22-19(2)24)17-14-20-8-4-3-5-9-20/h3-5,8-13H,6-7,14-17H2,1-2H3,(H,22,24)/i2D3
InChIKey DBKJXUHNTAMBKM-BMSJAHLVSA-N
Literature Reference DOI 10.1002/hlca.19760590515
Molecular Weight 391.544 g/mol
SMILES N(CCCCN(S(c1ccc(C)cc1)(=O)=O)CCc1ccccc1)C(=O)C([2D])([2D])[2D]
SPLASH splash10-0a5c-8292000000-680c7d8111162d366f76
Source of Spectrum H-59-1563-1563_2
Wiley ID 1799964