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Undecacyclo[9.9.0.0(2,9).0(3,7).0(4,20).0(5,18).0(6,16).0(8,15).0(10,14).0(12,19).0(13,17)]icosane-1,3,15-triyl tris(trifluoroacetate)
SpectraBase Compound ID I9X0yswfyv8
InChI InChI=1S/C26H17F9O6/c27-24(28,29)18(36)39-21-10-2-1-3-6-5(2)11(21)8-9-16(21)15-7(10)4(1)14-13(3)22(12(6)8,40-19(37)25(30,31)32)17(9)23(14,15)41-20(38)26(33,34)35/h1-17H
InChIKey QTNMKYZHPKVMMZ-UHFFFAOYSA-N
Mol Weight 596.4 g/mol
Molecular Formula C26H17F9O6
Exact Mass 596.088142 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BCQkuefU7Rk
Name Undecacyclo[9.9.0.0(2,9).0(3,7).0(4,20).0(5,18).0(6,16).0(8,15).0(10,14).0(12,19).0(13,17)]icosane-1,3,15-triyl tris(trifluoroacetate)
Alternate Name(s) 3,14-bis[(trifluoroacetyl)oxy]undecacyclo[9.9.0.0(2,9).0(3,7).0(4,20).0(5,18).0(6,16).0(8,15).0(10,14).0(12,19).0(13,17)]icos-1-yl trifluoroacetate
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Formula C26H17F9O6
InChI InChI=1S/C26H17F9O6/c27-24(28,29)18(36)39-21-10-2-1-3-6-5(2)11(21)8-9-16(21)15-7(10)4(1)14-13(3)22(12(6)8,40-19(37)25(30,31)32)17(9)23(14,15)41-20(38)26(33,34)35/h1-17H
InChIKey QTNMKYZHPKVMMZ-UHFFFAOYSA-N
Molecular Weight 596.402 g/mol
SMILES C12(C3C4(C5C6C3C3C7C6(OC(C(F)(F)F)=O)C6C8C7C(C23)C2C1C4C(C56)C82)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O
SPLASH splash10-0gc0-0396300000-a465817bee7275435e0b
Source of Spectrum KC-0-1205-39
Wiley ID 825171