Phenylpentane(538-68-1) Raman
Product NamePhenylpentane
CAS538-68-1
Molecular FormulaC11H16
Molecular Weight148.24
InChIInChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3
InChIKey PWATWSYOIIXYMA-UHFFFAOYSA-N
SmilesC1(CCCCC)=CC=CC=C1
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MassMS-NW-4180 pentylbenzene C11H16 (Mass of molecular ion: 148)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 4.4 29.0 6.2 39.0 5.2 41.0 8.3 42.0 1.0 50.0 1.1 51.0 3.5 55.0 1.1 57.0 3.8 63.0 1.7 65.0 8.7 77.0 4.5 78.0 6.1 79.0 3.0 89.0 1.3 91.0 100.0 92.0 73.5 93.0 5.9 103.0 1.9 104.0 2.0 105.0 11.3 106.0 2.1 115.0 1.3 117.0 1.7 119.0 2.1 133.0 1.6 148.0 27.3 149.0 3.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C11 H16 0.04 ml : 0.5 ml CDCl3 pentylbenzene 
Assign. Shift(ppm)
A 7.41 to 6.97 B 2.58 C 1.62 D 1.48 to 1.12 E 0.90
Hz ppm Int.657.75 7.345 50 654.31 7.306 35 652.38 7.285 57 649.75 7.255 170 647.56 7.231 144 645.31 7.206 960 643.94 7.191 1000 641.44 7.163 193 640.19 7.149 152 639.63 7.142 131 637.81 7.122 106 637.13 7.115 90 636.44 7.107 105 239.69 2.677 120 232.88 2.601 244 224.94 2.512 224 154.25 1.723 35 152.63 1.705 65 152.13 1.699 62 150.88 1.685 73 148.19 1.655 50 146.19 1.633 92 144.88 1.618 95 143.25 1.600 98 141.81 1.584 67 141.44 1.580 67 139.69 1.560 74 137.94 1.541 85 136.81 1.528 82 136.00 1.519 88 134.25 1.499 58 132.81 1.483 44 131.06 1.464 82 130.00 1.452 82 128.38 1.434 69 125.94 1.407 102 123.44 1.379 297 120.75 1.349 221 119.38 1.333 211 118.69 1.326 205 116.50 1.301 268 113.69 1.270 146 113.06 1.263 147 109.44 1.222 122 107.31 1.199 38 103.06 1.151 31 86.75 0.969 102 85.81 0.959 156 85.00 0.950 181 79.50 0.888 539 73.50 0.821 125 72.06 0.805 84 69.69 0.779 37
in CDCl3
liquid film
4880 A,200 M,liquid
