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4-[2'-(4"-Methoxyphenyl)ethynyl][2.2]paracyclophane
SpectraBase Compound ID DAASwOKm6na
InChI InChI=1S/C25H22O/c1-26-25-16-11-21(12-17-25)9-15-24-18-22-7-6-19-2-4-20(5-3-19)8-13-23(24)14-10-22/h2-5,10-12,14,16-18H,6-8,13H2,1H3
InChIKey HVTPDQJZTCEPNN-UHFFFAOYSA-N
Mol Weight 338.45 g/mol
Molecular Formula C25H22O
Exact Mass 338.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HwzeJstbsMN
Name 4-[2'-(4"-Methoxyphenyl)ethynyl][2.2]paracyclophane
Alternate Name(s) 5-[(4-methoxyphenyl)ethynyl]tricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaene Methyl 4-[tricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaen-5-ylethynyl]phenyl ether
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Formula C25H22O
InChI InChI=1S/C25H22O/c1-26-25-16-11-21(12-17-25)9-15-24-18-22-7-6-19-2-4-20(5-3-19)8-13-23(24)14-10-22/h2-5,10-12,14,16-18H,6-8,13H2,1H3
InChIKey HVTPDQJZTCEPNN-UHFFFAOYSA-N
Molecular Weight 338.450 g/mol
SMILES C(#Cc1ccc(cc1)OC)c1c2ccc(c1)CCc1ccc(CC2)cc1
SPLASH splash10-000i-0349000000-53b52d265c5111060b16
Source of Spectrum Y1-46-5737-5
Wiley ID 1622562