3-Aminoacetophenone(99-03-6) IR2
Product Name3-Aminoacetophenone
CAS99-03-6
Molecular FormulaC8H9NO
Molecular Weight135.16
InChIInChI=1S/C8H9NO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,9H2,1H3
InChIKey CKQHAYFOPRIUOM-UHFFFAOYSA-N
SmilesC(=O)(C1=CC=CC(N)=C1)C
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MassMS-NW-0190 3'-aminoacetophenone C8H9NO (Mass of molecular ion: 135)
Source Temperature: 150 °C Sample Temperature: 0 °C Direct, 75 eV
15.0 4.5 27.0 1.4 28.0 4.1 37.0 1.9 38.0 6.1 39.0 17.5 40.0 1.8 41.0 4.6 42.0 1.8 43.0 16.4 46.0 2.0 50.0 4.0 51.0 4.5 52.0 6.8 53.0 1.9 54.0 2.0 60.0 1.6 61.0 2.1 62.0 4.8 63.0 11.2 64.0 6.8 65.0 44.3 66.0 7.7 74.0 2.0 75.0 1.5 76.0 1.9 77.0 3.8 78.0 1.8 79.0 1.3 89.0 1.3 90.0 1.3 91.0 5.7 92.0 98.5 93.0 10.6 104.0 1.0 106.0 3.2 119.0 1.5 120.0 100.0 121.0 8.2 134.0 1.1 135.0 83.3 136.0 8.6
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C8 H9 N O 0.043 g : 0.5 ml CDCl3 3'-aminoacetophenone 
Assign. Shift(ppm)
A 7.31 B 7.25 C 7.20 D 6.84 E 3.82 F 2.537
Hz ppm Int.653.94 7.302 43 652.75 7.289 115 651.88 7.279 114 651.44 7.274 95 650.69 7.266 104 649.25 7.250 56 648.44 7.241 89 647.56 7.231 47 645.44 7.207 90 644.69 7.199 52 618.88 6.911 49 616.94 6.889 59 614.31 6.860 38 609.94 6.811 34 342.13 3.821 119 227.19 2.537 1000
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1H NMR 399.65 MHz C8 H9 N O 0.040 g : 0.5 ml CDCl3 3'-aminoacetophenone Assign. Shift(ppm)
A 7.313 B 7.259 C 7.225 D 6.863 E 3.89 F 2.545
Hz ppm Int.2928.83 7.329 55 2927.73 7.326 69 2927.25 7.325 67 2926.15 7.322 61 2921.14 7.310 81 2920.04 7.307 97 2919.56 7.306 102 2918.58 7.303 86 2903.20 7.265 105 2901.00 7.259 130 2899.05 7.254 100 2894.53 7.243 107 2886.60 7.223 162 2878.91 7.204 77 2748.17 6.877 76 2747.07 6.874 78 2745.73 6.871 74 2744.63 6.868 73 2740.23 6.857 70 2739.26 6.855 69 2737.79 6.851 68 2736.82 6.849 62 1553.83 3.888 67 1017.09 2.545 1000
in CDCl3
KBr disc
liquid film
nujol mull
