1,4-BIS(PHENYLETHYNYL)BENZENE(1849-27-0) 13C NMR
Product Name1,4-BIS(PHENYLETHYNYL)BENZENE
CAS1849-27-0
Molecular FormulaC22H14
Molecular Weight278.35
InChIInChI=1S/C22H14/c1-3-7-19(8-4-1)11-13-21-15-17-22(18-16-21)14-12-20-9-5-2-6-10-20/h1-10,15-18H
InChIKey FPVSTPLZJLYNMB-UHFFFAOYSA-N
SmilesC1(C#CC2=CC=CC=C2)=CC=C(C#CC2=CC=CC=C2)C=C1
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MassMS-IW-5981 p-bis(phenylethynyl)benzene C22H14 (Mass of molecular ion: 278)
Source Temperature: 160 °C Sample Temperature: 150 °C Direct, 75 eV
112.0 1.1 113.0 2.1 125.0 2.3 126.0 1.2 137.0 1.7 138.0 4.7 138.5 1.2 139.0 15.1 139.5 3.6 250.0 1.4 274.0 5.1 275.0 3.0 276.0 14.9 277.0 3.9 278.0 100.0 279.0 24.0 280.0 3.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C22 H14 ca 1 mg : 0.5 ml CDCl3 p-bis(phenylethynyl)benzene 
Assign. Shift(ppm)
A 7.54 B 7.515 C 7.36
Hz ppm Int.3018.80 7.554 121 3017.82 7.552 82 3016.72 7.549 73 3015.63 7.546 95 3014.40 7.543 133 3012.57 7.539 52 3011.11 7.535 171 3009.16 7.530 165 3003.30 7.515 1000 2948.73 7.379 61 2947.39 7.375 39 2946.41 7.373 47 2944.70 7.369 161 2942.87 7.364 187 2939.82 7.356 279 2937.74 7.351 309 2935.30 7.345 39
in CDCl3
KBr disc
nujol mull
