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1,2,3-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 Ase3HXFCpMf
InChI InChI=1S/C20H17Br3/c21-18-13-7-2-1-3-5-4(2)11(13)15-12(5)14-8(3)10-6(1)9(7)16(18)17(10)19(14,22)20(15,18)23/h1-17H
InChIKey WGMMUHWZUZIEBO-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 B4z8hel0BcT
Name 1,2,3-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/c21-18-13-7-2-1-3-5-4(2)11(13)15-12(5)14-8(3)10-6(1)9(7)16(18)17(10)19(14,22)20(15,18)23/h1-17H
InChIKey WGMMUHWZUZIEBO-UHFFFAOYSA-N
Molecular Weight 497.068 g/mol
SMILES C12(C3(C4C5C6C3C3C1C1C7C8C9C1C2(C4C9C5C8C6C37)Br)Br)Br
SPLASH splash10-00kr-0249500000-6ce2aafc7074c660013a
Source of Spectrum QE-12-6250-11
Wiley ID 1587219