ISOBUTYL DECANOATE(30673-38-2) MS
Product NameISOBUTYL DECANOATE
CAS30673-38-2
Molecular FormulaC14H28O2
Molecular Weight228.37
InChIInChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-11-14(15)16-12-13(2)3/h13H,4-12H2,1-3H3
InChIKey AXTPGRJJIGEOOY-UHFFFAOYSA-N
SmilesC(OCC(C)C)(=O)CCCCCCCCC
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MassMS-NW-8344 isobutyl decanoate C14H28O2 (Mass of molecular ion: 228)
Source Temperature: 260 °C Sample Temperature: 140 °C Reservoir, 75 eV
27.0 5.4 28.0 2.5 29.0 16.1 39.0 4.2 40.0 1.0 41.0 27.7 42.0 5.9 43.0 28.4 44.0 1.0 53.0 1.1 54.0 1.2 55.0 14.3 56.0 100.0 57.0 79.7 58.0 3.5 60.0 20.9 61.0 6.1 67.0 2.5 68.0 1.6 69.0 8.0 70.0 2.6 71.0 18.7 72.0 1.1 73.0 14.0 74.0 1.8 81.0 4.1 82.0 1.0 83.0 4.6 84.0 3.7 85.0 8.4 86.0 1.4 87.0 5.1 89.0 1.3 95.0 3.9 97.0 2.6 98.0 2.9 101.0 2.2 103.0 1.1 110.0 1.3 111.0 1.3 112.0 1.6 115.0 2.8 116.0 3.9 117.0 1.1 129.0 9.6 143.0 1.6 155.0 41.8 156.0 4.6 172.0 7.5 173.0 21.1 174.0 2.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C14 H28 O2 0.04 ml : 0.5 ml CDCl3 isobutyl decanoate 
Assign. Shift(ppm)
A 3.852 B 2.30 C 1.85 D 1.63 E 1.27 F 0.933 G 0.88
Hz ppm Int.348.44 3.891 384 341.88 3.818 419 214.44 2.395 47 213.31 2.382 46 206.88 2.310 124 199.13 2.224 104 179.19 2.001 42 172.38 1.925 52 165.81 1.852 50 159.13 1.777 41 152.56 1.704 41 151.31 1.690 31 149.38 1.668 30 148.56 1.659 32 148.06 1.654 33 146.13 1.632 41 145.75 1.628 42 145.44 1.624 41 144.63 1.615 41 143.81 1.606 39 142.88 1.596 35 142.00 1.586 32 141.56 1.581 31 141.06 1.576 31 140.50 1.569 31 140.13 1.565 31 139.38 1.557 32 139.06 1.553 32 138.75 1.550 32 138.31 1.545 31 137.50 1.536 30 128.75 1.438 31 128.00 1.430 33 127.25 1.421 37 126.06 1.408 41 125.44 1.401 42 123.63 1.381 53 122.25 1.366 63 113.69 1.270 678 86.56 0.967 1000 84.56 0.945 103 84.13 0.940 104 80.00 0.894 791 78.81 0.880 297 72.44 0.809 50
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
