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1,3,17-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 KlChuqOJfBQ
InChI InChI=1S/C20H17Br3/c21-18-10-1-2-4-5-3(1)12-6(10)8-14(18)9-7(11(2)18)13(4)20(23)16(9)15(8)19(12,22)17(5)20/h1-17H
InChIKey PYRPYLLFODHGPG-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 1Vs6iCpNsks
Name 1,3,17-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/c21-18-10-1-2-4-5-3(1)12-6(10)8-14(18)9-7(11(2)18)13(4)20(23)16(9)15(8)19(12,22)17(5)20/h1-17H
InChIKey PYRPYLLFODHGPG-UHFFFAOYSA-N
Molecular Weight 497.068 g/mol
SMILES C12(C3C4(C5C6C3C3C1C1C7C8(Br)C9C1C2C4C9C5C8C6C37)Br)Br
SPLASH splash10-016r-0970600000-071c74aacfd5bf77f466
Source of Spectrum QE-12-6251-32
Wiley ID 1587209