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1,17-Diacetyl-5,10-di(p-toluenesulfonyl)-1,5,10,17-tetraazaheptadecane
SpectraBase Compound ID 7qqBvhVQBKI
InChI InChI=1S/C31H48N4O6S2/c1-26-12-16-30(17-13-26)42(38,39)34(22-8-6-5-7-20-32-28(3)36)23-9-10-24-35(25-11-21-33-29(4)37)43(40,41)31-18-14-27(2)15-19-31/h12-19H,5-11,20-25H2,1-4H3,(H,32,36)(H,33,37)
InChIKey CWWSNKIRMXDZCO-UHFFFAOYSA-N
Mol Weight 636.9 g/mol
Molecular Formula C31H48N4O6S2
Exact Mass 636.301528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2xlDV4ubDRn
Name 1,17-Diacetyl-5,10-di(p-toluenesulfonyl)-1,5,10,17-tetraazaheptadecane
Alternate Name(s) N-(3-((N-(4-((N-(6-acetamidohexyl)-4-methylphenyl)sulfonamido)butyl)-4-methylphenyl)sulfonamido)propyl)acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H48N4O6S2
InChI InChI=1S/C31H48N4O6S2/c1-26-12-16-30(17-13-26)42(38,39)34(22-8-6-5-7-20-32-28(3)36)23-9-10-24-35(25-11-21-33-29(4)37)43(40,41)31-18-14-27(2)15-19-31/h12-19H,5-11,20-25H2,1-4H3,(H,32,36)(H,33,37)
InChIKey CWWSNKIRMXDZCO-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.19760590840
Molecular Weight 636.867 g/mol
SMILES N(C(C)=O)CCCN(CCCCN(CCCCCCNC(C)=O)S(c1ccc(C)cc1)(=O)=O)S(c1ccc(C)cc1)(=O)=O
SPLASH splash10-007o-9800400000-86ad2dd081f6529713be
Source of Spectrum H-59-3032-23
Wiley ID 1800033