4-Isobutylbenzaldehyde(40150-98-9) 1H NMR
Product Name4-Isobutylbenzaldehyde
CAS40150-98-9
Molecular FormulaC11H14O
Molecular Weight162.23
InChIInChI=1S/C11H14O/c1-9(2)7-10-3-5-11(8-12)6-4-10/h3-6,8-9H,7H2,1-2H3
InChIKey LXPWGAZYJHUWPM-UHFFFAOYSA-N
SmilesC(=O)C1=CC=C(CC(C)C)C=C1
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MassMS-IW-4789 p-isobutylbenzaldehyde C11H14O (Mass of molecular ion: 162)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 4.6 29.0 1.2 39.0 6.3 41.0 10.3 43.0 30.9 44.0 1.0 50.0 1.6 51.0 4.3 55.0 1.0 58.0 1.3 63.0 3.7 64.0 1.3 65.0 7.2 72.0 1.3 77.0 4.0 78.0 1.1 89.0 4.9 90.0 5.9 91.0 50.3 92.0 16.8 93.0 1.2 103.0 1.3 105.0 1.4 107.0 2.3 115.0 4.5 116.0 1.2 117.0 1.7 118.0 2.7 119.0 27.3 120.0 100.0 121.0 9.2 131.0 1.0 133.0 1.5 136.0 3.5 145.0 1.2 147.0 1.3 161.0 1.8 162.0 47.2 163.0 6.1 178.0 1.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C11 H14 O 0.05 ml : 0.5 ml CDCl3 p-isobutylbenzaldehyde 
Assign. Shift(ppm)
A 9.962 B 7.789 C 7.290 D 2.540 E 1.901 F 0.904
Hz ppm Int.3981.63 9.963 334 3118.90 7.805 45 3117.22 7.800 230 3115.54 7.796 92 3110.81 7.784 90 3108.98 7.780 262 2917.79 7.301 207 2909.70 7.281 203 1018.98 2.550 247 1011.81 2.532 271 773.77 1.937 30 766.75 1.919 57 760.04 1.902 73 753.33 1.885 60 746.46 1.868 31 364.99 0.914 967 358.28 0.897 1000
in CDCl3
liquid film
