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4,16-Dibromo[2.2]paracyclophane
SpectraBase Compound ID 6JzCrMKVnwA
InChI InChI=1S/C16H14Br2/c17-15-9-11-1-5-13(15)8-4-12-2-6-14(7-3-11)16(18)10-12/h1-2,5-6,9-10H,3-4,7-8H2
InChIKey QDMAXRJHDMKTQH-UHFFFAOYSA-N
Mol Weight 366.1 g/mol
Molecular Formula C16H14Br2
Exact Mass 363.946226 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3dRgl31xia
Name 4,16-Dibromo[2.2]paracyclophane
Appearance Colorless crystals
Carrier Gas Helium
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Exact Mass 363.946226451 u
Formula C16H14Br2
GC Column AGILENT 19091S-433 (30 m, film thickness 0.25 micrometer)
InChI InChI=1S/C16H14Br2/c17-15-9-11-1-5-13(15)8-4-12-2-6-14(7-3-11)16(18)10-12/h1-2,5-6,9-10H,3-4,7-8H2
InChIKey QDMAXRJHDMKTQH-UHFFFAOYSA-N
Instrument Name FINNIGAN MAT 90 or AGILENT TECHNOLOGIES model 6890N-5975B VL MSD
Ionization Type EI
Literature Reference DOI 10.1002/chem.202102341
Molecular Weight 366.096 g/mol
Quality 127
Reported Formula C16H14(79)Br(81)Br
SMILES C=1C(=C2CCC=3C=C(C(=CC3)CCC1C=C2)Br)Br
SPLASH splash10-001i-0903000000-cab4b7861213b618a2a4
Source of Spectrum QE-27-SM22-1 (DOI: 10.1002/chem.202102341)
Thin-Layer Chromatography 0.72 (CyHex/EtOAc, 9:1)
Wiley ID 1904178