o-Acetoacetaniside(92-15-9) MS
Product Nameo-Acetoacetaniside
CAS92-15-9
Molecular FormulaC11H13NO3
Molecular Weight207.23
InChIInChI=1S/C11H13NO3/c1-8(13)7-11(14)12-9-5-3-4-6-10(9)15-2/h3-6H,7H2,1-2H3,(H,12,14)
InChIKey KYYRTDXOHQYZPO-UHFFFAOYSA-N
SmilesC(NC1=CC=CC=C1OC)(=O)CC(=O)C
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MassMS-NW-9584 2'-methoxyacetoacetanilide C11H13NO3 (Mass of molecular ion: 207)
Source Temperature: 180 °C Sample Temperature: 110 °C Direct, 75 eV
18.0 2.9 28.0 1.6 39.0 1.6 41.0 1.0 43.0 19.2 51.0 2.2 52.0 3.4 53.0 1.6 64.0 1.0 65.0 5.3 77.0 1.9 78.0 1.5 79.0 1.3 80.0 7.4 85.0 3.2 92.0 3.6 93.0 1.7 94.0 1.3 105.0 1.2 106.0 1.3 108.0 78.8 109.0 6.5 120.0 4.1 121.0 1.0 122.0 1.9 123.0 100.0 124.0 8.8 134.0 3.0 135.0 1.5 149.0 43.3 150.0 5.0 189.0 1.8 207.0 90.8 208.0 12.3 209.0 1.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C11 H13 N O3 0.039 g : 0.5 ml CDCl3 2'-methoxyacetoacetanilide 
Assign. Shift(ppm)
A 9.23 B 8.321 C 7.050 D 6.945 E 6.882 F 3.897 G 3.588 J 2.313
Hz ppm Int.3690.49 9.235 32 3330.69 8.335 89 3329.16 8.331 90 3322.75 8.315 95 3321.08 8.310 93 2827.61 7.076 41 2825.93 7.072 42 2819.98 7.057 81 2818.30 7.052 82 2812.04 7.037 77 2810.36 7.033 75 2783.51 6.965 58 2782.14 6.962 69 2775.57 6.946 95 2774.20 6.942 104 2767.94 6.926 44 2766.57 6.923 46 2754.82 6.894 114 2753.60 6.891 104 2746.73 6.873 96 2745.51 6.870 84 1557.77 3.898 1000 1434.17 3.589 510 924.38 2.313 875
in CDCl3
KBr disc
nujol mull
