1-Butoxy-4-isopropylbenzene(28530-37-2) 1H NMR
Product Name1-Butoxy-4-isopropylbenzene
CAS28530-37-2
Molecular Formula
Molecular Weight
InChIInChI=1S/C13H20O/c1-4-5-10-14-13-8-6-12(7-9-13)11(2)3/h6-9,11H,4-5,10H2,1-3H3
InChIKey ZWBXGMNUQKYQSF-UHFFFAOYSA-N
SmilesC1(OCCCC)=CC=C(C(C)C)C=C1
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MassMS-IW-3817 p-butoxyisopropylbenzene C13H20O (Mass of molecular ion: 192)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 1.3 29.0 3.2 39.0 2.0 41.0 4.0 55.0 1.0 57.0 2.0 65.0 2.2 77.0 5.2 78.0 1.2 79.0 1.2 91.0 6.8 92.0 1.4 93.0 1.5 103.0 4.0 104.0 1.0 107.0 2.7 119.0 1.6 120.0 1.8 121.0 100.0 122.0 9.0 135.0 1.5 136.0 11.0 137.0 1.1 149.0 1.0 177.0 21.6 178.0 3.0 192.0 20.0 193.0 2.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C13 H20 O 0.05 ml : 0.5 ml CDCl3 p-butoxyisopropylbenzene 
Assign. Shift(ppm)
A 7.111 B 6.818 C 3.913 D 2.836 E 1.734 F 1.473 G 1.213 J 0.956
Hz ppm Int.2849.98 7.132 31 2847.05 7.124 249 2840.45 7.108 96 2838.75 7.104 268 2838.26 7.102 275 2835.82 7.096 47 2835.33 7.095 45 2732.67 6.838 39 2729.61 6.831 297 2727.54 6.825 114 2723.02 6.814 92 2720.95 6.809 267 2717.90 6.801 44 1570.31 3.930 188 1563.84 3.914 359 1557.37 3.897 194 1140.75 2.855 69 1133.79 2.837 93 1126.83 2.820 72 1120.00 2.803 31 707.89 1.772 42 701.05 1.755 114 698.36 1.748 46 694.21 1.738 141 691.89 1.732 103 686.28 1.718 125 679.81 1.702 54 600.10 1.502 92 594.36 1.488 56 592.41 1.483 142 586.91 1.469 58 584.84 1.464 143 577.51 1.446 89 496.58 1.243 44 495.48 1.240 40 488.40 1.223 1000 481.45 1.205 967 389.53 0.975 309 386.23 0.967 37 382.20 0.957 558 374.76 0.938 273
in CDCl3
liquid film
