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1,8-Di{2-[3-(bromomethyl)phenyl]-1-ethynyl}anthracene
SpectraBase Compound ID J4ISp6LVHg1
InChI InChI=1S/C32H20Br2/c33-21-25-7-1-5-23(17-25)13-15-27-9-3-11-29-19-30-12-4-10-28(32(30)20-31(27)29)16-14-24-6-2-8-26(18-24)22-34/h1-12,17-20H,21-22H2
InChIKey NGYBKUKRNLYQOU-UHFFFAOYSA-N
Mol Weight 564.3 g/mol
Molecular Formula C32H20Br2
Exact Mass 561.993177 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EG7uexyse5L
Name 1,8-Di{2-[3-(bromomethyl)phenyl]-1-ethynyl}anthracene
Comments Less than 3 mono-isotopic peaks
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Formula C32H20Br2
InChI InChI=1S/C32H20Br2/c33-21-25-7-1-5-23(17-25)13-15-27-9-3-11-29-19-30-12-4-10-28(32(30)20-31(27)29)16-14-24-6-2-8-26(18-24)22-34/h1-12,17-20H,21-22H2
InChIKey NGYBKUKRNLYQOU-UHFFFAOYSA-N
Molecular Weight 564.320 g/mol
SMILES C(#Cc1cc(CBr)ccc1)c1c2cc3c(C#Cc4cc(CBr)ccc4)cccc3cc2ccc1
SPLASH splash10-03xr-0000090000-b2f3c4b8b35e659fecce
Source of Spectrum F-56-8341-17
Synonyms 1,8-bis{[3-(bromomethyl)phenyl]ethynyl}anthracene
Wiley ID 859045