Isopropyl palmitate(142-91-6) 13C NMR
Product NameIsopropyl palmitate
CAS142-91-6
Molecular FormulaC19H38O2
Molecular Weight298.5
InChIInChI=1S/C19H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18(2)3/h18H,4-17H2,1-3H3
InChIKey XUGNVMKQXJXZCD-UHFFFAOYSA-N
SmilesC(OC(C)C)(=O)CCCCCCCCCCCCCCC
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MassMS-NW-8692 isopropyl palmitate C19H38O2 (Mass of molecular ion: 298)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
17.0 1.2 18.0 6.3 27.0 6.9 28.0 3.4 29.0 14.1 39.0 5.3 40.0 1.5 41.0 42.2 42.0 12.9 43.0 100.0 44.0 8.9 45.0 2.4 53.0 1.7 54.0 3.4 55.0 40.3 56.0 13.2 57.0 75.8 58.0 4.5 59.0 19.9 60.0 86.0 61.0 52.3 62.0 1.5 67.0 7.7 68.0 4.7 69.0 29.4 70.0 10.4 71.0 49.1 72.0 3.0 73.0 41.7 74.0 10.2 79.0 1.9 81.0 9.7 82.0 6.1 83.0 28.8 84.0 13.6 85.0 31.0 86.0 2.4 87.0 17.0 88.0 3.3 89.0 1.7 93.0 1.9 95.0 10.3 96.0 5.5 97.0 24.1 98.0 16.2 99.0 10.6 100.0 1.2 101.0 9.0 102.0 72.5 103.0 11.9 107.0 1.7 109.0 6.4 110.0 3.1 111.0 12.2 112.0 5.0 113.0 6.1 115.0 12.8 116.0 5.6 117.0 1.1 121.0 2.4 123.0 4.1 124.0 1.9 125.0 7.1 126.0 2.1 127.0 4.1 129.0 27.3 130.0 4.0 135.0 2.3 137.0 2.4 138.0 1.5 139.0 4.2 140.0 1.3 141.0 2.5 143.0 8.6 144.0 2.3 149.0 1.8 151.0 1.1 152.0 1.2 153.0 2.5 154.0 1.0 155.0 1.3 157.0 11.7 158.0 2.3 163.0 1.2 167.0 1.6 168.0 1.0 171.0 11.5 172.0 2.0 181.0 1.0 185.0 12.5 186.0 1.9 194.0 1.5 196.0 1.2 199.0 6.2 200.0 1.1 213.0 12.0 214.0 1.9 219.0 1.4 227.0 4.7 228.0 1.3 237.0 2.0 239.0 18.4 240.0 3.3 241.0 2.6 255.0 1.3 256.0 38.8 257.0 25.6 258.0 4.1 267.0 2.5 270.0 1.9 271.0 1.1 284.0 7.1 285.0 4.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C19 H38 O2 0.06 ml : 0.5 ml CDCl3 isopropyl palmitate 
Assign. Shift(ppm)
A 4.995 B 2.24 C 1.60 D 1.26 E 1.24 F 0.88
Hz ppm Int.447.94 5.002 22 201.75 2.253 25 194.25 2.169 23 112.69 1.259 1000 106.44 1.189 327 78.81 0.880 48
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
