(2-methylallylseleno)benzene(59085-70-0) MS
Product Name(2-methylallylseleno)benzene
CAS59085-70-0
Molecular FormulaC10H12Se
Molecular Weight211.16228
InChIInChI=1S/C10H12Se/c1-9(2)8-11-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3
InChIKey HSWBQORKCNGJJV-UHFFFAOYSA-N
SmilesC1([Se]CC(C)=C)=CC=CC=C1
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MassMS-IW-9737 (2-methylallylseleno)benzene C10H12Se (Mass of molecular ion: 212)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 9.7 28.0 1.4 29.0 22.6 39.0 13.7 40.0 1.1 41.0 1.1 50.0 4.6 51.0 10.4 52.0 1.3 53.0 8.5 55.0 100.0 56.0 4.8 63.0 1.3 65.0 4.0 74.0 1.4 75.0 1.7 76.0 2.1 77.0 16.5 78.0 10.6 91.0 32.0 92.0 2.5 93.0 2.2 103.0 1.0 104.0 1.4 105.0 1.7 107.0 1.1 115.0 3.5 116.0 3.6 117.0 5.9 118.0 12.4 119.0 1.8 128.0 1.0 129.0 2.7 130.0 2.0 131.0 23.5 132.0 3.4 153.0 2.8 154.0 3.7 155.0 6.9 156.0 3.5 157.0 12.7 158.0 4.7 159.0 2.5 167.0 1.1 168.0 2.3 170.0 4.5 195.0 1.5 197.0 2.7 208.0 6.1 209.0 5.7 210.0 15.7 211.0 2.0 212.0 31.8 213.0 3.6 214.0 5.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H12 Se 45 mg : 0.5 ml CDCl3 (2-methylallylseleno)benzene 
Assign. Shift(ppm)
A 7.50 B 7.24 C 4.70 D 3.516 E 1.861
Hz ppm Int.3006.10 7.522 33 3001.22 7.510 263 3000.37 7.508 171 2999.15 7.505 169 2997.80 7.502 223 2996.95 7.499 288 2995.24 7.495 116 2993.90 7.492 322 2991.70 7.486 295 2987.92 7.477 46 2907.47 7.276 38 2906.49 7.273 37 2905.64 7.271 36 2902.22 7.262 85 2901.49 7.261 131 2900.02 7.257 132 2897.83 7.251 396 2896.61 7.248 375 2893.31 7.240 594 2891.11 7.235 648 2889.16 7.230 98 2887.21 7.225 72 1889.65 4.729 79 1888.18 4.725 208 1886.47 4.721 308 1885.01 4.717 257 1883.54 4.713 101 1876.59 4.696 232 1875.73 4.694 282 1874.88 4.692 263 1874.02 4.690 197 1412.11 3.534 55 1411.25 3.532 60 1405.88 3.518 879 1404.91 3.516 938 1399.54 3.502 51 1398.68 3.500 52 745.00 1.865 796 743.65 1.861 1000 742.80 1.859 895
in CDCl3
