N-BUTYLACETAMIDE(1119-49-9) MS
Product NameN-BUTYLACETAMIDE
CAS1119-49-9
Molecular FormulaC6H13NO
Molecular Weight115.17
InChIInChI=1S/C6H13NO/c1-3-4-5-7-6(2)8/h3-5H2,1-2H3,(H,7,8)
InChIKey GYLDXXLJMRTVSS-UHFFFAOYSA-N
SmilesC(NCCCC)(=O)C
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MassMS-IW-3841 n-butylacetamide C6H13NO (Mass of molecular ion: 115)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 6.4 18.0 3.1 26.0 1.4 27.0 12.9 28.0 26.4 29.0 13.9 30.0 100.0 31.0 7.5 32.0 4.0 38.0 1.1 39.0 10.4 40.0 2.3 41.0 22.0 42.0 13.5 43.0 94.2 44.0 60.9 45.0 6.2 53.0 1.4 54.0 1.5 55.0 5.3 56.0 9.8 57.0 8.9 58.0 12.7 59.0 2.4 60.0 31.8 61.0 1.0 70.0 1.0 72.0 98.8 73.0 79.2 74.0 3.5 86.0 33.5 87.0 4.2 100.0 23.4 101.0 1.4 115.0 50.8 116.0 4.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H13 N O 0.05 ml : 0.5 ml CDCl3 N-butylacetamide 
Assign. Shift(ppm)
A 7.05 B 3.214 C 1.983 D 1.489 E 1.352 F 0.919
Hz ppm Int.2815.67 7.046 36 1294.68 3.240 113 1288.82 3.225 157 1287.48 3.222 195 1281.74 3.208 197 1280.27 3.204 158 1274.54 3.190 128 792.60 1.984 1000 612.06 1.532 39 611.33 1.530 37 604.98 1.514 107 602.05 1.507 57 597.05 1.494 165 594.48 1.488 97 590.45 1.478 125 589.72 1.476 127 587.52 1.471 69 582.52 1.458 71 582.03 1.457 70 558.35 1.398 45 551.15 1.380 115 546.02 1.367 56 543.95 1.362 140 543.33 1.360 144 542.60 1.358 130 538.57 1.348 61 535.28 1.340 151 531.37 1.330 33 528.32 1.322 92 521.36 1.305 34 374.51 0.938 414 367.19 0.919 726 362.55 0.908 43 359.86 0.901 353
in CDCl3
liquid film
