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(+)-4-Bromo-15-(p-Toluenesulfonyl)[2.2]paracyclophane
SpectraBase Compound ID BdxllKbzUmg
InChI InChI=1S/C23H21BrO2S/c1-16-2-12-21(13-3-16)27(25,26)23-15-18-5-4-17-6-8-19(22(24)14-17)10-11-20(23)9-7-18/h2-3,6-9,12-15H,4-5,10-11H2,1H3
InChIKey NCLXIHNYKYOYJS-UHFFFAOYSA-N
Mol Weight 441.38 g/mol
Molecular Formula C23H21BrO2S
Exact Mass 440.044564 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID OYNYufO9cB
Name (+)-4-Bromo-15-(p-Toluenesulfonyl)[2.2]paracyclophane
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Formula C23H21BrO2S
InChI InChI=1S/C23H21BrO2S/c1-16-2-12-21(13-3-16)27(25,26)23-15-18-5-4-17-6-8-19(22(24)14-17)10-11-20(23)9-7-18/h2-3,6-9,12-15H,4-5,10-11H2,1H3
InChIKey NCLXIHNYKYOYJS-UHFFFAOYSA-N
Molecular Weight 441.383 g/mol
SMILES c1(S(c2ccc(cc2)C)(=O)=O)c2CCc3c(Br)cc(CCc(c1)cc2)cc3
SPLASH splash10-0007-0900100000-f868b27c19aff410dd31
Source of Spectrum J-56-5678-20
Synonyms 12-bromotricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaen-5-yl 4-methylphenyl sulfone 5-Bromo-12-[(4-methylphenyl)sulfonyl]tricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaene
Wiley ID 1384622