p-bis((phenylseleno)methyl)benzene(78808-35-2) 13C NMR
Product Namep-bis((phenylseleno)methyl)benzene
CAS78808-35-2
Molecular FormulaC20H18Se2
Molecular Weight416.28
InChIInChI=1S/C20H18Se2/c1-3-7-19(8-4-1)21-15-17-11-13-18(14-12-17)16-22-20-9-5-2-6-10-20/h1-14H,15-16H2
InChIKey BCURRNRLLLVKKW-UHFFFAOYSA-N
SmilesC1(C[Se]C2=CC=CC=C2)=CC=C(C[Se]C2=CC=CC=C2)C=C1
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MassMS-IW-7744 p-bis((phenylseleno)methyl)benzene C20H18Se2 (Mass of molecular ion: 418)
Source Temperature: 170 °C Sample Temperature: 160 °C Direct, 75 eV
39.0 2.0 50.0 1.5 51.0 4.3 52.0 1.1 63.0 1.0 65.0 1.6 76.0 1.1 77.0 10.3 78.0 10.6 91.0 1.5 102.0 1.4 103.0 11.7 104.0 100.0 105.0 9.4 153.0 1.6 154.0 4.9 155.0 3.9 156.0 1.0 157.0 7.6 158.0 1.3 159.0 1.4 180.0 2.1 232.0 1.7 234.0 3.0 257.0 7.2 258.0 6.9 259.0 19.1 260.0 3.0 261.0 37.7 262.0 5.8 263.0 7.1 264.0 1.1 308.0 2.9 309.0 2.1 310.0 7.2 311.0 4.5 312.0 12.3 313.0 2.2 314.0 13.8 315.0 1.8 316.0 4.2 412.0 1.1 414.0 2.9 415.0 2.0 416.0 5.0 417.0 1.3 418.0 5.4 419.0 1.2 420.0 1.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C20 H18 Se2 0.040 g : 0.5 ml CDCl3 p-bis((phenylseleno)methyl)benzene 
Assign. Shift(ppm)
A 7.421 B 7.25 to 7.21 C 7.062 D 4.049 J(SE-77,D)=11.4HZ
Hz ppm Int.2970.83 7.434 183 2968.99 7.429 190 2967.29 7.425 97 2966.31 7.423 95 2965.58 7.421 97 2964.11 7.417 136 2963.75 7.416 135 2963.26 7.415 125 2961.30 7.410 234 2960.08 7.407 49 2959.72 7.406 49 2896.61 7.248 58 2895.14 7.245 73 2894.53 7.243 98 2892.09 7.237 272 2891.48 7.236 306 2890.14 7.232 314 2889.16 7.230 182 2887.57 7.226 120 2885.99 7.222 118 2885.01 7.219 129 2884.28 7.218 164 2883.79 7.216 144 2880.74 7.209 46 2879.27 7.205 54 2822.39 7.063 1000 1624.02 4.064 38 1618.29 4.050 799 1612.67 4.036 38
in CDCl3
