4-Phenyl-2-butanol(2344-70-9) MS
Product Name4-Phenyl-2-butanol
CAS2344-70-9
Molecular FormulaC10H14O
Molecular Weight150.22
InChIInChI=1S/C10H14O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3
InChIKey GDWRKZLROIFUML-UHFFFAOYSA-N
SmilesC(C1C=CC=CC=1)CC(O)C
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MassMS-NW-5683 4-phenyl-2-butanol C10H14O (Mass of molecular ion: 150)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 1.1 19.0 1.0 27.0 5.5 28.0 1.5 29.0 1.7 31.0 1.9 38.0 1.0 39.0 8.3 41.0 2.9 43.0 7.5 45.0 33.3 50.0 3.4 51.0 9.9 52.0 2.8 53.0 1.9 54.0 2.4 55.0 1.0 57.0 1.6 58.0 1.1 59.0 2.6 62.0 1.3 63.0 4.3 64.0 1.4 65.0 13.4 66.0 1.0 72.0 1.0 74.0 1.2 75.0 1.2 76.0 1.0 77.0 13.4 78.0 26.1 79.0 9.8 89.0 3.2 90.0 1.5 91.0 96.3 92.0 48.0 93.0 4.0 102.0 1.2 103.0 6.6 104.0 6.3 105.0 14.1 106.0 3.7 107.0 1.1 115.0 5.8 116.0 2.2 117.0 100.0 118.0 10.5 129.0 1.0 131.0 9.7 132.0 67.3 133.0 8.0 135.0 1.0 148.0 1.0 150.0 8.6 151.0 1.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H14 O 0.05 ml : 0.5 ml CDCl3 4-phenyl-2-butanol 
Assign. Shift(ppm)
A 7.248 B 7.17 C 7.15 D 3.772 E *1 2.717 F *1 2.635 G 2.39 J *2 1.752 K *2 1.715 L 1.187 J(E,K)=9.7HZ J(E,F)=-13.8HZ J(E,J)=6.1HZ J(F,K)=6.8HZ J(F,J)=9.4HZ J(J.K)=-13.6HZ J(J,D)=7.5HZ J(K,D)=5.1HZ
Hz ppm Int.2905.76 7.271 104 2904.91 7.269 156 2903.32 7.265 84 2898.32 7.253 255 2897.46 7.250 314 2892.21 7.237 127 2890.26 7.232 325 2885.86 7.221 31 2876.71 7.199 30 2869.63 7.181 416 2866.94 7.174 205 2865.72 7.171 199 2862.67 7.163 260 2862.18 7.162 254 2858.52 7.153 215 2856.45 7.148 78 2852.66 7.138 61 2851.32 7.135 85 2850.10 7.132 53 1515.38 3.792 37 1510.38 3.780 63 1504.27 3.764 64 1499.76 3.753 37 1499.15 3.752 37 1103.15 2.761 40 1097.05 2.746 46 1093.51 2.737 46 1089.36 2.726 87 1087.52 2.722 58 1083.37 2.711 87 1079.71 2.702 93 1073.61 2.687 89 1066.16 2.668 85 1059.33 2.651 98 1056.64 2.644 90 1052.37 2.634 51 1049.93 2.628 93 1045.53 2.617 48 1042.97 2.610 47 1036.13 2.593 44 954.59 2.389 143 716.92 1.794 36 715.58 1.791 31 713.50 1.786 31 709.47 1.776 110 707.40 1.771 41 706.30 1.768 35 703.37 1.760 93 702.03 1.757 103 699.95 1.752 124 698.49 1.748 103 695.92 1.742 98 693.60 1.736 153 692.63 1.734 138 691.77 1.731 124 688.72 1.724 93 686.52 1.718 173 684.94 1.714 59 683.59 1.711 94 682.01 1.707 89 679.81 1.702 39 677.98 1.697 41 676.88 1.694 86 675.17 1.690 40 670.04 1.677 31 481.45 1.205 57 477.54 1.195 967 474.49 1.188 83 471.31 1.180 1000 467.65 1.171 46
in CDCl3
liquid film
