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4-Phenyl-ethynyl[2.2]paracyclophane
SpectraBase Compound ID XrlqbCwA75
InChI InChI=1S/C24H20/c1-2-4-19(5-3-1)13-17-24-18-22-11-10-20-6-8-21(9-7-20)12-15-23(24)16-14-22/h1-9,14,16,18H,10-12,15H2
InChIKey BZALTOHBRXRKLT-UHFFFAOYSA-N
Mol Weight 308.42 g/mol
Molecular Formula C24H20
Exact Mass 308.156501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1kALe7b7tym
Name 4-Phenyl-ethynyl[2.2]paracyclophane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H20
InChI InChI=1S/C24H20/c1-2-4-19(5-3-1)13-17-24-18-22-11-10-20-6-8-21(9-7-20)12-15-23(24)16-14-22/h1-9,14,16,18H,10-12,15H2
InChIKey BZALTOHBRXRKLT-UHFFFAOYSA-N
Molecular Weight 308.424 g/mol
SMILES C(#Cc1ccccc1)c1c2CCc3ccc(CCc(c1)cc2)cc3
SPLASH splash10-0udi-0294000000-db839ddf75124ed37ea7
Source of Spectrum D1-2006-1417-4
Synonyms 2-Phenyl-ethynyl[2.2]paracyclophane 5-(Phenylethynyl)tricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaene
Wiley ID 1614080