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1-(.alpha.-Bromobenzyl)triptycene
SpectraBase Compound ID Bf0ZyPa2EBR
InChI InChI=1S/C27H19Br/c28-26(18-10-2-1-3-11-18)27-22-15-7-4-12-19(22)25(20-13-5-8-16-23(20)27)21-14-6-9-17-24(21)27/h1-17,25-26H
InChIKey UBZZTRQNVDWBKX-UHFFFAOYSA-N
Mol Weight 423.35 g/mol
Molecular Formula C27H19Br
Exact Mass 422.067014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KehKXScihQ8
Name 1-(.alpha.-Bromobenzyl)triptycene
Alternate Name(s) 3-[bromo(phenyl)methyl]pentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icosa-2,4,6,9,11,13,15,17,19-nonaene
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Formula C27H19Br
InChI InChI=1S/C27H19Br/c28-26(18-10-2-1-3-11-18)27-22-15-7-4-12-19(22)25(20-13-5-8-16-23(20)27)21-14-6-9-17-24(21)27/h1-17,25-26H
InChIKey UBZZTRQNVDWBKX-UHFFFAOYSA-N
Molecular Weight 423.353 g/mol
SMILES C12(c3c(cccc3)C(c3c1cccc3)c1c2cccc1)C(c1ccccc1)Br
SPLASH splash10-0udi-0095000000-47e355ce2a8d223e7c33
Source of Spectrum KC-0-567-1
Wiley ID 785142