2-ETHYL-2-PHENYLMALONAMIDE HYDRATE(80866-90-6) IR1
Product Name2-ETHYL-2-PHENYLMALONAMIDE HYDRATE
CAS80866-90-6
Molecular FormulaC11H16N2O3
Molecular Weight224.26
InChIInChI=1S/C11H14N2O2.H2O/c1-2-11(9(12)14,10(13)15)8-6-4-3-5-7-8;/h3-7H,2H2,1H3,(H2,12,14)(H2,13,15);1H2
InChIKey FZSBWHZDTUPYRX-UHFFFAOYSA-N
SmilesC(CC)(C(=O)N)(C(=O)N)C1C=CC=CC=1.O
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MassMS-NW-6598 2-ethyl-2-phenylmalonamide C11H14N2O2 H2O (Mass of molecular ion: 206)
Source Temperature: 190 °C Sample Temperature: 120 °C Direct, 75 eV
17.0 3.3 18.0 14.3 27.0 2.8 28.0 1.9 29.0 1.4 38.0 1.0 39.0 7.5 41.0 5.8 42.0 3.3 43.0 5.8 44.0 15.2 50.0 2.8 51.0 7.9 52.0 2.1 53.0 1.0 62.0 2.0 63.0 4.7 64.0 1.3 65.0 4.5 74.0 3.7 75.0 1.5 76.0 1.9 77.0 12.3 78.0 4.9 79.0 2.9 89.0 5.5 90.0 3.3 91.0 33.7 92.0 3.2 102.0 2.6 103.0 31.7 104.0 5.3 105.0 2.8 106.0 1.4 115.0 12.7 116.0 9.6 117.0 20.7 118.0 5.7 119.0 5.3 120.0 18.1 121.0 1.8 130.0 7.1 131.0 3.0 132.0 1.0 133.0 1.2 134.0 1.5 135.0 2.5 142.0 3.8 143.0 3.5 144.0 1.4 145.0 15.9 146.0 5.0 148.0 82.8 149.0 8.8 160.0 1.6 161.0 4.8 162.0 2.5 163.0 100.0 164.0 11.9
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C11 H14 N2 O2 0.038 g : 0.5 ml DMSO-d6 2-ethyl-2-phenylmalonamide 
Assign. Shift(ppm)
A *1 7.99 B *1 7.38 C 7.34 D 7.32 E 7.242 F 2.308 G 0.830
Hz ppm Int.3194.70 7.994 310 2950.68 7.384 319 2942.26 7.363 55 2940.80 7.359 120 2938.60 7.353 182 2936.28 7.348 95 2932.01 7.337 883 2930.66 7.334 1000 2924.07 7.317 521 2922.00 7.312 150 2917.97 7.302 98 2915.89 7.297 164 2901.37 7.260 112 2899.41 7.255 188 2897.09 7.250 102 2895.51 7.246 92 2893.80 7.241 132 2892.70 7.239 173 2890.01 7.232 66 2888.18 7.227 55 2886.35 7.223 81 2884.28 7.218 49 933.59 2.337 93 926.39 2.319 320 919.19 2.300 327 911.99 2.282 102 338.99 0.849 393 331.79 0.831 932 324.46 0.812 371
in DMSO-d6
KBr disc
nujol mull
