2',5'-DIMETHYLACETOPHENONE(2142-73-6) MS
Product Name2',5'-DIMETHYLACETOPHENONE
CAS2142-73-6
Molecular FormulaC10H12O
Molecular Weight148.2
InChIInChI=1S/C10H12O/c1-7-4-5-8(2)10(6-7)9(3)11/h4-6H,1-3H3
InChIKey AWKBVLVKQQRRFQ-UHFFFAOYSA-N
SmilesC(=O)(C1=CC(C)=CC=C1C)C
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MassMS-NW-9200 2',5'-dimethylacetophenone C10H12O (Mass of molecular ion: 148)
Source Temperature: 260 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 3.6 39.0 5.2 41.0 1.2 43.0 10.5 50.0 2.0 51.0 7.6 52.0 2.0 53.0 2.7 59.0 1.1 62.0 1.0 63.0 3.4 64.0 1.1 65.0 3.2 66.0 1.1 73.0 1.3 74.0 1.5 77.0 16.5 78.0 4.8 79.0 16.6 80.0 1.1 89.0 1.4 91.0 4.5 102.0 1.4 103.0 10.8 104.0 3.6 105.0 80.8 106.0 7.6 115.0 1.7 133.0 100.0 134.0 10.0 147.0 1.0 148.0 49.0 149.0 5.6
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C10 H12 O 0.05 ml : 0.5 ml CDCl3 2',5'-dimethylacetophenone 
Assign. Shift(ppm)
A 7.46 B *1 7.13 C *1 7.12 D 2.535 E *2 2.461 F *2 2.338
Hz ppm Int.668.63 7.466 99 639.06 7.136 115 637.38 7.117 193 629.31 7.027 25 227.06 2.536 1000 224.13 2.503 82 220.50 2.463 465 214.50 2.396 40 209.44 2.339 426 204.13 2.280 39
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1H NMR 399.65 MHz C10 H12 O 0.05 ml : 0.5 ml CDCl3 2',5'-dimethylacetophenone Assign. Shift(ppm)
A 7.472 B 7.150 C 7.089 D 2.534 E *1 2.462 F *1 2.335
Hz ppm Int.2986.69 7.474 144 2985.47 7.471 144 2862.67 7.163 59 2861.33 7.160 57 2854.86 7.144 101 2853.64 7.141 98 2836.06 7.097 160 2828.25 7.077 91 1015.14 2.541 96 1012.70 2.534 1000 1009.40 2.526 49 984.01 2.463 564 933.47 2.336 541
in CDCl3
liquid film
