Pentanamide(626-97-1) MS
Product NamePentanamide
CAS626-97-1
Molecular FormulaC5H11NO
Molecular Weight101.15
InChIInChI=1S/C5H11NO/c1-2-3-4-5(6)7/h2-4H2,1H3,(H2,6,7)
InChIKey IPWFJLQDVFKJDU-UHFFFAOYSA-N
SmilesC(N)(=O)CCCC
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MassMS-NW-1271 valeramide C5H11NO (Mass of molecular ion: 101)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.0 18.0 2.8 26.0 1.5 27.0 10.8 28.0 4.5 29.0 19.0 30.0 1.2 39.0 5.6 41.0 15.5 42.0 3.9 43.0 9.2 44.0 38.9 45.0 1.8 54.0 1.1 55.0 5.1 56.0 1.4 57.0 11.0 59.0 100.0 60.0 2.9 72.0 18.5 73.0 2.7 85.0 2.3 86.0 3.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H11 N O 0.045 g : 0.5 ml CDCl3 valeramide 
Assign. Shift(ppm)
A *1 6.4 B *1 5.9 C 2.22 D 1.60 E 1.37 F 0.93
Hz ppm Int.207.25 2.315 179 206.06 2.301 190 199.38 2.227 433 192.13 2.146 395 152.56 1.704 174 146.56 1.637 164 145.75 1.628 204 144.38 1.613 180 142.25 1.589 160 139.13 1.554 192 137.88 1.540 259 136.69 1.527 175 135.88 1.518 152 135.00 1.508 147 131.94 1.474 276 130.50 1.458 189 126.56 1.414 162 125.94 1.407 196 125.31 1.400 175 124.19 1.387 182 119.88 1.339 151 117.81 1.316 200 111.50 1.245 161 111.19 1.242 164 89.81 1.003 334 88.75 0.991 515 82.50 0.922 1000 76.44 0.854 168 75.13 0.839 223
in CDCl3
KBr disc
nujol mull
