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(1RS,5RS)-2,3,4,4-tetrabromo-6,7-benzobicyclo[3.2.1]octa-2,6-diene
SpectraBase Compound ID LN7kzukXkgo
InChI InChI=1S/C12H8Br4/c13-10-8-5-9(12(15,16)11(10)14)7-4-2-1-3-6(7)8/h1-4,8-9H,5H2/t8-,9-/m1/s1
InChIKey QMPKPOVAEAEBFX-RKDXNWHRSA-N
Mol Weight 471.81 g/mol
Molecular Formula C12H8Br4
Exact Mass 467.735952 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2tcz2rAmzKo
Name (1RS,5RS)-2,3,4,4-tetrabromo-6,7-benzobicyclo[3.2.1]octa-2,6-diene
CAS Registry Number 117269-31-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8Br4
InChI InChI=1S/C12H8Br4/c13-10-8-5-9(12(15,16)11(10)14)7-4-2-1-3-6(7)8/h1-4,8-9H,5H2/t8-,9-/m1/s1
InChIKey QMPKPOVAEAEBFX-RKDXNWHRSA-N
Molecular Weight 471.812 g/mol
SMILES C=1(C([C@]2(c3ccccc3[C@](C1Br)(C2)[H])[H])(Br)Br)Br
SPLASH splash10-0udi-0913300000-2d27c5caf65ac815208e
Source of Spectrum J-54-185-12
Synonyms 9,10,11,11-tetrabromotricyclo[6.3.1.0(2,7)]dodeca-2,4,6,9-tetraene
Wiley ID 1392253