p-sec-Butylanisole(4917-90-2) IR1
Product Namep-sec-Butylanisole
CAS4917-90-2
Molecular FormulaC11H16O
Molecular Weight164.24
InChIInChI=1S/C11H16O/c1-4-9(2)10-5-7-11(12-3)8-6-10/h5-9H,4H2,1-3H3
InChIKey SNFIOPFQNROLBN-UHFFFAOYSA-N
SmilesC1(OC)=CC=C(C(C)CC)C=C1
-
MassMS-IW-3494 p-sec-butylanisole C11H16O (Mass of molecular ion: 164)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 1.2 29.0 1.1 39.0 2.2 41.0 1.7 51.0 1.7 55.0 1.1 63.0 1.5 65.0 3.0 77.0 5.5 78.0 2.1 79.0 4.1 91.0 7.9 92.0 1.9 103.0 5.1 104.0 1.3 105.0 13.4 106.0 1.3 115.0 1.1 119.0 1.9 120.0 3.3 121.0 7.9 134.0 1.6 135.0 100.0 136.0 10.0 149.0 5.9 164.0 17.2 165.0 2.1 191.0 1.8
400 MHz in CDCl3
-
1H NMR 399.65 MHz C11 H16 O 0.05 ml : 0.5 ml CDCl3 p-sec-butylanisole 
Assign. Shift(ppm)
A 7.077 B 6.823 C 3.745 D 2.528 E 1.549 F 1.200 G 0.804
Hz ppm Int.2836.43 7.098 35 2833.50 7.090 269 2831.30 7.085 100 2826.90 7.074 105 2825.07 7.069 285 2824.71 7.068 298 2822.14 7.062 49 2821.78 7.061 51 2733.89 6.841 47 2730.96 6.834 326 2728.76 6.828 119 2724.37 6.817 101 2722.17 6.812 285 2719.24 6.805 44 1496.83 3.746 1000 1021.48 2.556 44 1014.40 2.539 88 1007.32 2.521 91 1000.37 2.504 49 634.03 1.587 59 626.59 1.568 209 619.26 1.550 291 612.06 1.532 208 604.74 1.514 67 483.03 1.209 624 476.07 1.192 611 328.49 0.822 325 321.17 0.804 558 313.72 0.785 298
in CDCl3
liquid film
