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1,18-Diacetyl-6,10-di(p-toluenesulfonyl)-1,6,10,18-tetraaza-octadecane
SpectraBase Compound ID ERc7gLKnXXy
InChI InChI=1S/C32H50N4O6S2/c1-27-13-17-31(18-14-27)43(39,40)35(23-10-7-5-6-8-21-33-29(3)37)25-12-26-36(24-11-9-22-34-30(4)38)44(41,42)32-19-15-28(2)16-20-32/h13-20H,5-12,21-26H2,1-4H3,(H,33,37)(H,34,38)
InChIKey ZBOCEXPTVGHYNC-UHFFFAOYSA-N
Mol Weight 650.9 g/mol
Molecular Formula C32H50N4O6S2
Exact Mass 650.317178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3dNIzq7HvHf
Name 1,18-Diacetyl-6,10-di(p-toluenesulfonyl)-1,6,10,18-tetraaza-octadecane
Alternate Name(s) N-(7-((N-(3-((N-(4-acetamidobutyl)-4-methylphenyl)sulfonamido)propyl)-4-methylphenyl)sulfonamido)heptyl)acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H50N4O6S2
InChI InChI=1S/C32H50N4O6S2/c1-27-13-17-31(18-14-27)43(39,40)35(23-10-7-5-6-8-21-33-29(3)37)25-12-26-36(24-11-9-22-34-30(4)38)44(41,42)32-19-15-28(2)16-20-32/h13-20H,5-12,21-26H2,1-4H3,(H,33,37)(H,34,38)
InChIKey ZBOCEXPTVGHYNC-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.19760590840
Molecular Weight 650.894 g/mol
SMILES N(C(C)=O)CCCCN(CCCN(CCCCCCCNC(C)=O)S(c1ccc(C)cc1)(=O)=O)S(c1ccc(C)cc1)(=O)=O
SPLASH splash10-007p-9522100000-29acf6c5c6e616863a2d
Source of Spectrum H-59-3032-25
Wiley ID 1800035