3'-Acetamidoacetophenone(7463-31-2) MS
Product Name3'-Acetamidoacetophenone
CAS7463-31-2
Molecular FormulaC10H11NO2
Molecular Weight177.2
InChIInChI=1S/C10H11NO2/c1-7(12)9-4-3-5-10(6-9)11-8(2)13/h3-6H,1-2H3,(H,11,13)
InChIKey AFZTYHRVDOKRKV-UHFFFAOYSA-N
SmilesC(NC1=CC=CC(C(C)=O)=C1)(=O)C
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MassMS-IW-3759 3'-acetylacetanilide C10H11NO2 (Mass of molecular ion: 177)
Source Temperature: 150 °C Sample Temperature: 100 °C Direct, 75 eV
15.0 1.7 28.0 1.2 38.0 1.3 39.0 3.2 41.0 1.0 42.0 1.1 43.0 38.8 50.0 1.6 51.0 2.0 52.0 1.6 62.0 1.2 63.0 4.6 64.0 4.2 65.0 11.0 66.0 1.7 76.0 1.3 77.0 2.6 79.0 1.1 90.0 1.5 91.0 4.6 92.0 26.1 93.0 5.2 106.0 1.9 108.0 1.1 119.0 1.5 120.0 100.0 121.0 8.2 134.0 6.0 135.0 70.9 136.0 6.6 162.0 6.8 177.0 73.0 178.0 8.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H11 N O2 0.033 g : 0.5 ml CDCl3 3'-acetylacetanilide 
Assign. Shift(ppm)
A 8.71 B 8.084 C 7.981 D 7.663 E 7.400 F 2.586 G 2.224
Hz ppm Int.3479.13 8.706 71 3232.54 8.089 101 3230.83 8.085 150 3229.25 8.081 106 3194.58 7.994 74 3193.36 7.991 69 3186.52 7.974 76 3185.30 7.971 72 3066.77 7.674 85 3058.96 7.655 93 2964.84 7.419 82 2956.91 7.399 136 2948.97 7.379 65 1033.81 2.587 1000 888.92 2.225 822
in CDCl3
KBr disc
nujol mull
