Product NameEthylbenzene
CAS100-41-4
Molecular FormulaC8H10
Molecular Weight106.17
InChIInChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey YNQLUTRBYVCPMQ-UHFFFAOYSA-N
SmilesC1(CC)=CC=CC=C1
Mass
MS-NW-5529 ethylbenzene C8H10 (Mass of molecular ion: 106)
Source Temperature: 280 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 2.7 38.0 1.0 39.0 5.6 41.0 1.0 50.0 3.3 51.0 8.8 52.0 2.9 62.0 1.0 63.0 3.0 65.0 7.7 74.0 1.1 77.0 7.1 78.0 6.5 79.0 3.9 89.0 1.7 91.0 100.0 92.0 7.9 103.0 2.9 104.0 1.1 105.0 6.4 106.0 37.2 107.0 3.4
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C8 H10 | 9.3 mol% in CDCl3 |
ethylbenzene |
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Assign. Shift(ppm) |
Hz ppm Int.
658.00 7.348 30 652.63 7.288 38 651.94 7.280 38 650.94 7.269 73 650.63 7.265 76 649.81 7.256 105 648.25 7.239 107 645.44 7.207 779 644.19 7.193 730 642.06 7.170 122 641.50 7.163 154 640.81 7.156 127 640.06 7.147 92 639.38 7.140 74 638.69 7.132 70 637.94 7.124 63 637.38 7.117 83 637.00 7.113 83 636.06 7.103 62 247.13 2.760 63 239.50 2.675 213 231.94 2.590 236 224.44 2.507 91 117.00 1.307 414 109.63 1.225 1000 109.19 1.220 622 107.38 1.199 41 101.81 1.137 328 101.31 1.132 178
in CDCl3
CCl4 solution
liquid film
4880 A,150M,liquid
Ethylbenzene(100-41-4) 1H NMR Atlas of Related Products
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