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Acetamide, N,N'-[1,4-butanediylbis[[[(4-methylphenyl)sulfonyl]imino]-3,1-propane diyl]]bis-
SpectraBase Compound ID JYh4nT9RiCs
InChI InChI=1S/C28H42N4O6S2/c1-23-9-13-27(14-10-23)39(35,36)31(21-7-17-29-25(3)33)19-5-6-20-32(22-8-18-30-26(4)34)40(37,38)28-15-11-24(2)12-16-28/h9-16H,5-8,17-22H2,1-4H3,(H,29,33)(H,30,34)
InChIKey DIRXZNLUUCKEBW-UHFFFAOYSA-N
Mol Weight 594.8 g/mol
Molecular Formula C28H42N4O6S2
Exact Mass 594.254577 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ygo99YtgO
Name Acetamide, N,N'-[1,4-butanediylbis[[[(4-methylphenyl)sulfonyl]imino]-3,1-propane diyl]]bis-
Alternate Name(s) N,N'-bis(3-acetamidopropyl)-N,N'-bis(p-tolylsulfonyl)-1,4-diaminobutane N-(3-{(4-{[3-(acetylamino)propyl][(4-methylphenyl)sulfonyl]amino}butyl)[(4-methylphenyl)sulfonyl]amino}propyl)acetamide
CAS Registry Number 62371-92-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H42N4O6S2
InChI InChI=1S/C28H42N4O6S2/c1-23-9-13-27(14-10-23)39(35,36)31(21-7-17-29-25(3)33)19-5-6-20-32(22-8-18-30-26(4)34)40(37,38)28-15-11-24(2)12-16-28/h9-16H,5-8,17-22H2,1-4H3,(H,29,33)(H,30,34)
InChIKey DIRXZNLUUCKEBW-UHFFFAOYSA-N
Molecular Weight 594.786 g/mol
SMILES N(C(=O)C)CCCN(CCCCN(CCCNC(=O)C)S(c1ccc(cc1)C)(=O)=O)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0ff3-9803000000-8bafa4bb676b0e15a13a
Source of Spectrum H-60-121-0
Wiley ID 1409608