Product NameN-(4-Methylphenyl)-3-oxobutanamide
CAS2415-85-2
Molecular FormulaC11H13NO2
Molecular Weight191.23
InChIInChI=1S/C11H13NO2/c1-8-3-5-10(6-4-8)12-11(14)7-9(2)13/h3-6H,7H2,1-2H3,(H,12,14)
InChIKey MJGLMEMIYDUEHA-UHFFFAOYSA-N
SmilesC(NC1=CC=C(C)C=C1)(=O)CC(=O)C
Mass
MS-NW-7956 N-(p-tolyl)acetoacetamide C11H13NO2 (Mass of molecular ion: 191)
Source Temperature: 140 °C Sample Temperature: 100 °C Direct, 75 eV
15.0 2.4 27.0 2.9 28.0 1.6 39.0 4.6 41.0 1.4 42.0 1.2 43.0 29.6 50.0 1.6 51.0 4.4 52.0 3.5 53.0 2.4 58.0 1.5 63.0 1.8 65.0 3.8 77.0 11.6 78.0 4.8 79.0 6.4 80.0 1.3 85.0 3.2 89.0 1.0 91.0 4.8 104.0 3.1 105.0 3.0 106.0 47.7 107.0 100.0 108.0 8.6 120.0 1.3 132.0 2.5 133.0 26.7 134.0 3.0 148.0 1.3 191.0 38.3 192.0 5.3
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C11 H13 N O2 | 0.033 g : 0.5 ml CDCl3 |
N-(p-tolyl)acetoacetamide |
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Assign. Shift(ppm) |
Hz ppm Int.
3627.56 9.077 38 2967.53 7.426 37 2965.21 7.420 212 2963.26 7.415 78 2958.62 7.404 88 2956.67 7.399 243 2954.35 7.393 37 2844.36 7.118 189 2836.18 7.097 166 1416.63 3.545 563 920.17 2.303 703 914.92 2.290 1000
in CDCl3
KBr disc
nujol mull
N-(4-Methylphenyl)-3-oxobutanamide(2415-85-2) IR1 Atlas of Related Products
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