SEC-BUTYLBENZENE(135-98-8) MS
Product NameSEC-BUTYLBENZENE
CAS135-98-8
Molecular FormulaC10H14
Molecular Weight134.22
InChIInChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
InChIKey ZJMWRROPUADPEA-UHFFFAOYSA-N
SmilesC1(C(C)CC)=CC=CC=C1
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MassMS-NW-4626 sec-butylbenzene C10H14 (Mass of molecular ion: 134)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 3.4 29.0 1.7 39.0 3.3 41.0 2.7 50.0 1.5 51.0 4.6 52.0 1.1 53.0 1.0 63.0 1.4 65.0 2.2 77.0 9.7 78.0 3.3 79.0 7.8 91.0 13.9 92.0 1.2 103.0 5.3 104.0 2.8 105.0 100.0 106.0 9.2 115.0 1.5 117.0 1.6 119.0 2.2 134.0 18.0 135.0 2.0 161.0 1.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H14 0.022 g : 0.5 ml CDCl3 sec-butylbenzene 
Assign. Shift(ppm)
A 7.43 to 7.01 B 2.58 C 1.58 D 1.237 E 0.82
Hz ppm Int.659.75 7.367 54 657.25 7.339 34 656.44 7.330 30 654.38 7.307 51 652.19 7.283 141 649.31 7.251 117 647.00 7.225 660 645.38 7.207 482 644.69 7.199 607 642.63 7.176 149 640.94 7.157 110 638.88 7.134 95 638.38 7.128 78 637.56 7.119 82 636.25 7.105 33 635.56 7.097 31 242.56 2.709 38 235.56 2.631 78 228.63 2.553 87 221.50 2.474 52 158.19 1.767 34 157.19 1.756 35 151.38 1.691 59 149.88 1.674 146 145.69 1.627 43 144.56 1.615 40 143.31 1.601 142 142.50 1.592 230 136.25 1.522 93 135.50 1.513 233 129.06 1.442 56 128.25 1.433 59 113.88 1.272 1000 111.81 1.249 54 107.00 1.195 834 104.94 1.172 45 80.44 0.899 298 79.88 0.892 205 73.44 0.821 528 72.88 0.814 366 65.88 0.736 182 65.00 0.726 111
in CDCl3
liquid film
