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(2)-(N-Trifluoracetyl-azacyclohexacosan)-(cyclooctacosan)-catenan

View entire compound with spectra: 1 MS (GC)

(2)-(N-Trifluoracetyl-azacyclohexacosan)-(cyclooctacosan)-catenan
SpectraBase Compound ID ATcLbL06adx
InChI InChI=1S/C28H56.C27H50F3NO/c1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-27-25-23-21-19-17-15-13-11-9-7-5-3-1;28-27(29,30)26(32)31-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-31/h1-28H2;1-25H2
InChIKey MTGRUAKOHGJOMB-UHFFFAOYSA-N
Mol Weight 854.5 g/mol
Molecular Formula C55H106F3NO
Exact Mass 853.822652 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 514BXFfaDK5
Name (2)-(N-Trifluoracetyl-azacyclohexacosan)-(cyclooctacosan)-catenan
Alternate Name(s) (2)-Cyclooctacosane-(1-trifluoroacetyl-1-azacyclohexacosane)-catenane Cyclooctacosane compound with 1-(trifluoroacetyl)azacyclohexacosane (1:1) 1-(Azacyclohexacos-1-yl)-2,2,2-trifluoroethanone;cyclooctacosane 1-(1-Azacyclohexacos-1-yl)-2,2,2-tris(fluoranyl)ethanone;cyclooctacosane
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Formula C55H106F3NO
InChI InChI=1S/C28H56.C27H50F3NO/c1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-27-25-23-21-19-17-15-13-11-9-7-5-3-1;28-27(29,30)26(32)31-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-31/h1-28H2;1-25H2
InChIKey MTGRUAKOHGJOMB-UHFFFAOYSA-N
Molecular Weight 854.454 g/mol
SMILES C1CCCCCCCCCCCCCCCCCCCCCCCCCCC1.C1CCCCCCCCCCCCCCCCCCCCCCCCN1C(C(F)(F)F)=O
SPLASH splash10-0536-9204200410-f812744b89772dba4a3a
Source of Spectrum O-12-357-4
Wiley ID 1417717