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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-1,3,13,15-tetrakis(trifluoroacetate)
SpectraBase Compound ID EThXocT4sO9
InChI InChI=1S/C28H16F12O8/c29-25(30,31)17(41)45-21-7-1-2-4-10(7)24(48-20(44)28(38,39)40)14-6-5(15(21)24)13-11(21)3(1)9-8(2)22(12(4)14,46-18(42)26(32,33)34)16(6)23(9,13)47-19(43)27(35,36)37/h1-16H
InChIKey XPVDSAKURJRTTE-UHFFFAOYSA-N
Mol Weight 708.41 g/mol
Molecular Formula C28H16F12O8
Exact Mass 708.065355 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4lleSWR9JyV
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-1,3,13,15-tetrakis(trifluoroacetate)
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Formula C28H16F12O8
InChI InChI=1S/C28H16F12O8/c29-25(30,31)17(41)45-21-7-1-2-4-10(7)24(48-20(44)28(38,39)40)14-6-5(15(21)24)13-11(21)3(1)9-8(2)22(12(4)14,46-18(42)26(32,33)34)16(6)23(9,13)47-19(43)27(35,36)37/h1-16H
InChIKey XPVDSAKURJRTTE-UHFFFAOYSA-N
Molecular Weight 708.409 g/mol
SMILES C12(C3C4(C5C6C3C3C7(C6C6(C8C7C(C23)C2C8C(C56)C4C12)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O
SPLASH splash10-0fsi-0521930000-0ebfe95aebc82852cdc7
Source of Spectrum KC-0-1207-63
Synonyms 3,13,15-tris[(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
Wiley ID 825163