AMYL BUTYRATE(540-18-1) IR1
Product NameAMYL BUTYRATE
CAS540-18-1
Molecular FormulaC9H18O2
Molecular Weight158.24
InChIInChI=1S/C9H18O2/c1-3-5-6-8-11-9(10)7-4-2/h3-8H2,1-2H3
InChIKey CFNJLPHOBMVMNS-UHFFFAOYSA-N
SmilesC(OCCCCC)(=O)CCC
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MassMS-NW-8457 pentyl butyrate C9H18O2 (Mass of molecular ion: 158)
Source Temperature: 250 °C Sample Temperature: 140 °C Reservoir, 75 eV
15.0 1.2 26.0 1.0 27.0 20.0 28.0 4.6 29.0 15.2 31.0 1.5 39.0 9.5 40.0 2.0 41.0 31.5 42.0 33.6 43.0 100.0 44.0 3.9 45.0 1.8 53.0 1.0 55.0 24.4 56.0 1.6 57.0 1.8 60.0 7.7 61.0 2.1 69.0 6.5 70.0 49.2 71.0 91.1 72.0 4.1 73.0 5.8 85.0 1.1 86.0 1.4 87.0 1.1 88.0 4.6 89.0 45.5 90.0 2.0 101.0 3.0 115.0 1.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H18 O2 0.05 ml : 0.5 ml CDCl3 pentyl butyrate 
Assign. Shift(ppm)
A 4.059 B 2.267 C 1.70 D 1.55 E 1.4 to 1.38 F 0.95 G 0.94
Hz ppm Int.370.56 4.138 217 367.88 4.108 68 364.13 4.066 519 357.63 3.994 298 212.19 2.370 148 211.19 2.359 156 204.13 2.280 369 200.25 2.236 59 197.50 2.206 302 196.81 2.198 305 166.63 1.861 59 159.81 1.785 134 159.06 1.777 151 156.56 1.749 73 156.19 1.744 75 152.19 1.700 329 145.19 1.622 343 144.38 1.613 307 143.94 1.608 319 141.56 1.581 155 139.88 1.562 211 138.56 1.548 215 137.25 1.533 259 133.69 1.493 130 132.31 1.478 131 130.19 1.454 164 124.94 1.396 366 122.06 1.363 333 121.00 1.352 290 119.63 1.336 310 118.13 1.320 324 114.50 1.279 221 110.81 1.238 173 108.50 1.212 92 106.94 1.195 69 106.56 1.190 67 106.06 1.185 67 105.56 1.179 65 105.13 1.174 67 104.81 1.171 69 103.44 1.155 58 102.56 1.146 57 101.06 1.129 57 100.69 1.125 57 100.00 1.117 57 97.19 1.086 58 96.63 1.079 62 92.00 1.028 490 85.06 0.950 1000 81.38 0.909 589 78.31 0.875 322 77.50 0.866 380 76.44 0.854 261 71.63 0.800 66
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
