BUTYL CAPRATE(30673-36-0) IR2
Product NameBUTYL CAPRATE
CAS30673-36-0
Molecular FormulaC14H28O2
Molecular Weight228.37
InChIInChI=1S/C14H28O2/c1-3-5-7-8-9-10-11-12-14(15)16-13-6-4-2/h3-13H2,1-2H3
InChIKey ZRNCNTSXSYXHOW-UHFFFAOYSA-N
SmilesC(OCCCC)(=O)CCCCCCCCC
-
MassMS-NW-1883 butyl decanoate C14H28O2 (Mass of molecular ion: 228)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 1.4 27.0 12.1 28.0 3.6 29.0 34.0 31.0 2.0 39.0 7.0 40.0 1.6 41.0 45.2 42.0 8.5 43.0 37.5 44.0 1.2 45.0 1.6 53.0 1.9 54.0 2.0 55.0 21.5 56.0 100.0 57.0 43.5 58.0 1.9 59.0 1.1 60.0 27.4 61.0 11.9 67.0 2.6 68.0 2.3 69.0 10.8 70.0 2.7 71.0 14.5 72.0 1.0 73.0 20.8 74.0 2.5 81.0 3.2 82.0 1.1 83.0 5.1 84.0 4.0 85.0 6.3 87.0 5.0 89.0 2.3 95.0 2.8 97.0 3.0 98.0 3.1 101.0 5.6 103.0 1.9 110.0 1.2 111.0 1.4 112.0 1.0 115.0 2.7 116.0 7.4 117.0 2.2 129.0 11.0 130.0 1.1 143.0 2.0 155.0 24.2 156.0 2.7 172.0 4.6 173.0 34.9 174.0 4.0 185.0 1.5 228.0 1.5
90 MHz in CDCl3
-
1H NMR 89.56 MHz C14 H28 O2 0.04 ml : 0.5 ml CDCl3 butyl decanoate 
Assign. Shift(ppm)
A 4.068 B 2.282 C 1.63 to 1.51 D 1.45 E 1.35 F 1.27 G 0.93 J 0.88
Hz ppm Int.370.94 4.142 122 364.50 4.070 331 358.06 3.998 164 213.00 2.379 66 211.75 2.365 64 205.31 2.293 173 197.63 2.207 144 157.56 1.760 39 154.06 1.721 52 151.50 1.692 88 149.19 1.666 80 148.50 1.659 70 147.44 1.647 74 144.88 1.618 142 143.69 1.605 123 142.69 1.594 120 141.06 1.576 79 139.13 1.554 141 138.44 1.546 144 137.00 1.530 134 135.25 1.511 88 133.25 1.488 139 131.94 1.474 108 129.06 1.442 92 127.38 1.423 116 125.63 1.403 128 121.88 1.361 178 118.81 1.327 235 113.69 1.270 1000 106.00 1.184 74 103.88 1.160 43 91.06 1.017 111 90.25 1.008 182 89.38 0.998 168 85.75 0.958 91 83.63 0.934 485 82.06 0.917 186 78.75 0.880 330 76.19 0.851 125 74.94 0.837 59 74.13 0.828 73 72.94 0.815 64
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
