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1,6-Diacetoxy-11,16-dibromoundecacyclo[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

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1,6-Diacetoxy-11,16-dibromoundecacyclo[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
SpectraBase Compound ID JVOA5NN8NHW
InChI InChI=1S/C24H22Br2O4/c1-3(27)29-23-17-7-9-15-5-6-14(21(23,25)13(5)7)8-10-16(6)22(15,26)24(30-4(2)28)19(9)11(17)12(18(8)23)20(10)24/h5-20H,1-2H3
InChIKey KGCHZYCAPXCHPG-UHFFFAOYSA-N
Mol Weight 534.24 g/mol
Molecular Formula C24H22Br2O4
Exact Mass 531.988485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8iuVn7MZAjD
Name 1,6-Diacetoxy-11,16-dibromoundecacyclo[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
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Formula C24H22Br2O4
InChI InChI=1S/C24H22Br2O4/c1-3(27)29-23-17-7-9-15-5-6-14(21(23,25)13(5)7)8-10-16(6)22(15,26)24(30-4(2)28)19(9)11(17)12(18(8)23)20(10)24/h5-20H,1-2H3
InChIKey KGCHZYCAPXCHPG-UHFFFAOYSA-N
Molecular Weight 534.244 g/mol
SMILES C12(C3(C4C5C6C3C3C1C1C7C8(OC(=O)C)C9C1C2C4C9C5C8(C6C37)Br)Br)OC(=O)C
SPLASH splash10-0007-3029000000-bd2947237e59cfd73b5d
Source of Spectrum J-66-5753-21
Synonyms 17-(acetyloxy)-2,16-dibromoundecacyclo[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 acetate
Wiley ID 1535666