Isobutyrophenone(611-70-1) IR2
Product NameIsobutyrophenone
CAS611-70-1
Molecular FormulaC10H12O
Molecular Weight148.2
InChIInChI=1S/C10H12O/c1-8(2)10(11)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey BSMGLVDZZMBWQB-UHFFFAOYSA-N
SmilesC(C1=CC=CC=C1)(=O)C(C)C
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MassMS-NW-1500 isobutyrophenone C10H12O (Mass of molecular ion: 148)
Source Temperature: 250 °C Sample Temperature: 170 °C Reservoir, 75 eV
27.0 3.9 28.0 1.0 39.0 2.9 41.0 3.3 43.0 2.2 50.0 3.9 51.0 13.3 52.0 1.1 74.0 1.0 76.0 1.6 77.0 37.0 78.0 3.1 105.0 100.0 106.0 7.8 148.0 7.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H12 O 0.04 ml : 0.5 ml CDCl3 isobutyrophenone 
Assign. Shift(ppm)
A 7.95 B 7.67 to 7.31 C 3.543 D 1.216
Hz ppm Int.717.31 8.010 84 715.50 7.990 93 713.63 7.969 39 712.56 7.957 38 712.06 7.951 37 710.19 7.930 71 708.88 7.916 33 707.56 7.901 128 677.81 7.569 30 676.44 7.553 35 675.94 7.548 37 675.19 7.539 30 673.31 7.518 122 672.56 7.510 173 671.19 7.495 170 670.19 7.484 86 669.63 7.477 61 668.63 7.466 61 666.88 7.447 57 665.88 7.436 57 665.19 7.428 90 664.75 7.423 82 660.00 7.370 33 324.88 3.628 44 318.13 3.553 61 311.25 3.476 49 112.19 1.253 1000 110.00 1.229 35 105.38 1.177 910 103.25 1.153 35
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
