2'-Methylacetophenone(577-16-2) 13C NMR
Product Name2'-Methylacetophenone
CAS577-16-2
Molecular FormulaC9H10O
Molecular Weight134.18
InChIInChI=1S/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6H,1-2H3
InChIKey YXWWHNCQZBVZPV-UHFFFAOYSA-N
SmilesC(=O)(C1=CC=CC=C1C)C
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MassMS-NW-3403 2'-methylacetophenone C9H10O (Mass of molecular ion: 134)
Source Temperature: 290 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 2.2 27.0 2.1 37.0 1.0 38.0 2.4 39.0 12.4 40.0 1.0 41.0 2.6 43.0 13.9 45.5 1.0 50.0 4.6 51.0 7.6 52.0 1.7 53.0 1.0 61.0 1.6 62.0 4.1 63.0 10.7 64.0 3.0 65.0 22.3 66.0 1.7 74.0 1.9 75.0 1.4 76.0 1.0 77.0 4.7 78.0 1.2 79.0 1.3 86.0 1.0 89.0 8.4 90.0 4.4 91.0 92.0 92.0 7.8 103.0 1.6 105.0 1.3 115.0 1.7 119.0 100.0 120.0 9.7 134.0 47.5 135.0 5.1
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C9 H10 O 0.04 ml : 0.5 ml CDCl3 2'-methylacetophenone 
Assign. Shift(ppm)
A 7.67 B 7.35 C 7.24 D 7.21 E 2.559 F 2.52
Hz ppm Int.690.44 7.710 25 690.06 7.706 24 685.13 7.650 30 682.88 7.625 41 661.56 7.387 25 656.75 7.334 33 655.19 7.316 106 653.06 7.292 99 651.31 7.273 30 650.69 7.266 48 649.81 7.256 58 649.06 7.248 66 648.50 7.241 71 647.81 7.234 64 647.25 7.228 46 643.63 7.187 24 229.19 2.560 1000 226.06 2.525 389
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1H NMR 399.65 MHz C9 H10 O 0.05 ml : 0.5 ml CDCl3 2'-methylacetophenone Assign. Shift(ppm)
A 7.663 B 7.336 C 7.23 D 7.21 E 2.538 F 2.512
Hz ppm Int.3067.38 7.676 109 3066.16 7.673 114 3059.69 7.656 117 3058.35 7.653 123 2941.41 7.360 51 2939.94 7.357 53 2933.96 7.342 128 2932.50 7.338 125 2926.39 7.323 94 2925.05 7.320 89 2896.85 7.249 71 2896.12 7.247 82 2888.55 7.228 125 2883.18 7.215 145 2882.45 7.213 164 2881.84 7.211 152 2875.61 7.196 98 2875.00 7.194 106 2874.39 7.193 94 1014.28 2.538 1000 1004.15 2.513 681
in CDCl3
liquid film
4880 A,200 M,liquid
