Butylbenzene(104-51-8) IR1
Product NameButylbenzene
CAS104-51-8
Molecular FormulaC10H14
Molecular Weight134.22
InChIInChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3
InChIKey OCKPCBLVNKHBMX-UHFFFAOYSA-N
SmilesC1(CCCC)=CC=CC=C1
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MassMS-NW-0144 butylbenzene C10H14 (Mass of molecular ion: 134)
Source Temperature: 210 °C Sample Temperature: 75 °C Reservoir, 75 eV
27.0 5.9 28.0 1.0 29.0 2.2 39.0 7.5 41.0 4.3 43.0 2.2 50.0 2.0 51.0 6.2 52.0 1.6 53.0 1.0 63.0 3.2 65.0 12.5 77.0 6.5 78.0 6.8 79.0 3.6 89.0 2.4 90.0 1.0 91.0 100.0 92.0 59.7 93.0 4.3 103.0 2.8 104.0 2.2 105.0 9.3 106.0 1.3 115.0 1.5 119.0 1.1 134.0 26.3 135.0 2.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H14 16.0 mg : 0.5 ml CDCl3 butylbenzene 
Assign. Shift(ppm)
A 7.268 B 7.18 C 7.17 D 2.606 E 1.596 F 1.355 G 0.925
Hz ppm Int.2913.94 7.292 122 2912.23 7.287 52 2909.67 7.281 43 2906.74 7.274 216 2905.76 7.271 276 2903.08 7.265 33 2901.61 7.261 81 2899.17 7.255 268 2897.46 7.250 70 2872.80 7.189 499 2870.24 7.182 109 2865.60 7.171 370 2859.13 7.155 56 2857.79 7.151 69 2856.32 7.148 36 1049.56 2.627 187 1041.87 2.607 245 1034.06 2.588 204 654.17 1.637 62 648.07 1.622 83 646.73 1.619 123 644.65 1.614 88 640.99 1.604 94 639.04 1.599 220 636.35 1.593 100 632.57 1.583 96 631.35 1.580 152 629.88 1.577 75 629.15 1.575 73 623.66 1.561 84 560.30 1.402 39 552.86 1.384 125 545.41 1.365 177 540.16 1.352 53 537.72 1.346 181 530.52 1.328 121 523.19 1.310 41 376.83 0.943 470 374.39 0.937 31 369.51 0.925 1000 364.62 0.913 36 362.18 0.907 404
in CDCl3
liquid film
