BUTYL LAURATE(106-18-3) 13C NMR
Product NameBUTYL LAURATE
CAS106-18-3
Molecular FormulaC16H32O2
Molecular Weight256.42
InChIInChI=1S/C16H32O2/c1-3-5-7-8-9-10-11-12-13-14-16(17)18-15-6-4-2/h3-15H2,1-2H3
InChIKey NDKYEUQMPZIGFN-UHFFFAOYSA-N
SmilesC(OCCCC)(=O)CCCCCCCCCCC
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MassMS-NW-0372 butyl dodecanoate C16H32O2 (Mass of molecular ion: 256)
Source Temperature: 120 °C Sample Temperature: 100 °C Direct, 75 eV
27.0 5.0 28.0 2.0 29.0 18.0 39.0 3.5 41.0 29.4 42.0 5.4 43.0 26.9 53.0 1.4 54.0 2.2 55.0 20.9 56.0 100.0 57.0 41.7 58.0 1.8 60.0 22.5 61.0 13.2 67.0 3.0 68.0 2.0 69.0 10.4 70.0 2.8 71.0 10.2 73.0 20.9 74.0 2.3 81.0 2.8 82.0 1.5 83.0 7.0 84.0 4.3 85.0 6.8 87.0 4.2 95.0 3.1 96.0 1.3 97.0 5.1 98.0 5.0 99.0 1.3 101.0 8.2 109.0 1.7 111.0 2.4 112.0 1.2 115.0 3.7 116.0 22.2 117.0 7.7 125.0 1.4 129.0 15.6 130.0 1.4 138.0 1.1 143.0 2.3 155.0 2.0 157.0 4.6 171.0 3.0 172.0 1.0 173.0 4.0 183.0 23.6 184.0 3.1 185.0 4.2 199.0 1.1 200.0 8.6 201.0 53.8 202.0 7.1 211.0 3.3 213.0 2.0 228.0 2.2 229.0 7.6 230.0 1.2 239.0 1.4 256.0 15.4 257.0 5.9 264.0 1.3 284.0 4.1 285.0 1.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C16 H32 O2 0.04 ml : 0.5 ml CDCl3 butyl dodecanoate 
Assign. Shift(ppm)
A 4.063 B 2.276 C 1.63 to 1.51 D 1.42 E 1.32 F 1.26 G 0.93 J 0.88
Hz ppm Int.370.88 4.142 50 364.44 4.070 135 358.00 3.998 69 205.25 2.292 74 197.63 2.207 60 151.44 1.691 36 149.25 1.667 31 144.75 1.617 59 142.69 1.594 49 139.00 1.553 58 138.88 1.551 58 138.50 1.547 58 137.00 1.530 55 133.19 1.488 55 131.81 1.472 43 128.94 1.440 43 127.69 1.426 53 125.56 1.402 50 121.81 1.361 67 118.63 1.325 102 118.50 1.324 102 112.81 1.260 1000 90.06 1.006 81 83.63 0.934 199 82.13 0.918 85 78.81 0.880 139 76.13 0.851 59 74.06 0.827 36 72.81 0.813 33
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
