Butyramide(541-35-5) MS
Product NameButyramide
CAS541-35-5
Molecular FormulaC4H9NO
Molecular Weight87.12
InChIInChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)
InChIKey DNSISZSEWVHGLH-UHFFFAOYSA-N
SmilesC(N)(=O)CCC
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MassMS-NW-5048 butyramide C4H9NO (Mass of molecular ion: 87)
Source Temperature: 250 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 2.6 16.0 1.1 17.0 1.8 18.0 8.5 26.0 3.7 27.0 26.6 28.0 5.8 29.0 26.1 30.0 1.8 37.0 2.0 38.0 2.8 39.0 11.6 40.0 3.1 41.0 53.4 42.0 7.5 43.0 32.2 44.0 66.3 45.0 3.2 46.0 1.7 52.0 1.4 54.0 1.0 55.0 7.0 59.0 100.0 60.0 3.0 69.0 1.8 70.0 1.0 71.0 8.0 72.0 19.2 86.0 3.0 87.0 2.9
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C4 H9 N O 0.040 g : 0.5 ml DMSO-d6 butyramide 
Assign. Shift(ppm)
A *1 7.24 B *1 6.71 C 2.018 D 1.499 E 0.856
Hz ppm Int.2893.31 7.240 36 2682.01 6.711 37 813.84 2.037 255 810.91 2.030 23 806.64 2.019 441 799.19 2.000 282 617.68 1.546 44 610.35 1.528 171 602.91 1.509 287 595.46 1.490 278 588.13 1.472 164 580.81 1.454 43 349.73 0.876 524 342.41 0.857 1000 334.96 0.839 446
in DMSO-d6
in CDCl3
KBr disc
nujol mull
