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4',5'-Bis(bromomethyl)-1,2-benzo[2.2]paracyclophan-1-ene
SpectraBase Compound ID 7v2iDCBmquT
InChI InChI=1S/C22H18Br2/c23-13-21-17-10-7-15-5-8-16(9-6-15)18-3-1-2-4-19(18)20(12-11-17)22(21)14-24/h1-6,8-9,11-12H,7,10,13-14H2
InChIKey OPVXQRWKPMZNOF-UHFFFAOYSA-N
Mol Weight 442.19 g/mol
Molecular Formula C22H18Br2
Exact Mass 439.977527 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BGk5cap4gGy
Name 4',5'-Bis(bromomethyl)-1,2-benzo[2.2]paracyclophan-1-ene
Comments Less than 3 mono-isotopic peaks
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Formula C22H18Br2
InChI InChI=1S/C22H18Br2/c23-13-21-17-10-7-15-5-8-16(9-6-15)18-3-1-2-4-19(18)20(12-11-17)22(21)14-24/h1-6,8-9,11-12H,7,10,13-14H2
InChIKey OPVXQRWKPMZNOF-UHFFFAOYSA-N
Molecular Weight 442.194 g/mol
SMILES c12-c3c(-c4ccc(CCc(cc2)c(c1CBr)CBr)cc4)cccc3
SPLASH splash10-000x-0060900000-2fb873b08a80272a8ba3
Source of Spectrum C-115-3518-13
Synonyms 9,10-bis(bromomethyl)tetracyclo[12.2.2.2(8,11).0(2,7)]icosa-1(16),2,4,6,8,10,14,17,19-nonaene
Wiley ID 1384594