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1,2,6-Tribromoundecacyclo[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 116iWU8sz06
InChI InChI=1S/C20H17Br3/c21-18-11-3-1-2-5(11)9-15-8(2)13-4(1)7-6(3)12(18)10-14(7)19(13,22)20(15,23)17(10)16(9)18/h1-17H
InChIKey NVGSWTRHLIGOQV-UHFFFAOYSA-N
Mol Weight 497.07 g/mol
Molecular Formula C20H17Br3
Exact Mass 493.88804 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LfnCxokEXwH
Name 1,2,6-Tribromoundecacyclo[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 C20H17Br3
InChI InChI=1S/C20H17Br3/c21-18-11-3-1-2-5(11)9-15-8(2)13-4(1)7-6(3)12(18)10-14(7)19(13,22)20(15,23)17(10)16(9)18/h1-17H
InChIKey NVGSWTRHLIGOQV-UHFFFAOYSA-N
Molecular Weight 497.068 g/mol
SMILES C12(C3(C4C5C6C3C3C1C1C7C8C9(C1C2C4C9C5C8C6C37)Br)Br)Br
SPLASH splash10-0a6r-0690700000-2e491ecec7f7dcc32541
Source of Spectrum QE-12-6251-30
Wiley ID 1587211