22-TRICOSENOIC ACID(65119-95-1) 13C NMR
Product Name22-TRICOSENOIC ACID
CAS65119-95-1
Molecular FormulaC23H44O2
Molecular Weight352.59
InChIInChI=1S/C23H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h2H,1,3-22H2,(H,24,25)
InChIKey YGTSVJQQDISEHZ-UHFFFAOYSA-N
SmilesC(O)(=O)CCCCCCCCCCCCCCCCCCCCC=C
-
MassMS-NW-9379 22-tricosenoic acid C23H44O2 (Mass of molecular ion: 352)
Source Temperature: 240 °C Sample Temperature: 140 °C Direct, 75 eV
17.0 1.5 18.0 7.5 27.0 4.1 28.0 2.5 29.0 15.2 39.0 5.3 40.0 1.0 41.0 52.7 42.0 10.0 43.0 59.4 44.0 2.1 45.0 3.1 53.0 3.2 54.0 10.7 55.0 100.0 56.0 30.2 57.0 55.4 58.0 2.7 59.0 2.5 60.0 14.1 61.0 3.3 66.0 1.3 67.0 18.4 68.0 15.9 69.0 76.0 70.0 30.2 71.0 26.0 72.0 1.5 73.0 16.0 74.0 1.5 79.0 2.6 80.0 3.4 81.0 19.5 82.0 26.2 83.0 68.9 84.0 30.8 85.0 15.7 86.0 1.2 87.0 4.5 93.0 2.4 94.0 4.7 95.0 15.0 96.0 27.1 97.0 64.3 98.0 29.4 99.0 6.5 100.0 2.7 101.0 5.5 107.0 2.5 108.0 3.6 109.0 9.4 110.0 14.7 111.0 32.0 112.0 12.0 113.0 4.3 114.0 6.0 115.0 4.7 116.0 1.5 119.0 1.8 121.0 4.3 122.0 2.7 123.0 8.2 124.0 9.7 125.0 17.4 126.0 6.7 127.0 6.8 128.0 1.7 129.0 5.1 133.0 2.0 134.0 3.5 135.0 4.7 136.0 2.1 137.0 6.7 138.0 7.8 139.0 10.3 140.0 4.5 141.0 2.2 143.0 2.4 147.0 1.8 148.0 3.3 149.0 3.5 150.0 1.5 151.0 5.7 152.0 7.0 153.0 6.8 154.0 3.3 155.0 1.7 157.0 1.8 161.0 1.5 162.0 1.1 163.0 2.1 164.0 1.0 165.0 4.2 166.0 4.4 167.0 4.5 168.0 2.3 169.0 1.5 171.0 1.6 175.0 1.2 177.0 1.3 179.0 3.3 180.0 3.2 181.0 3.1 182.0 1.8 183.0 1.1 185.0 1.6 193.0 2.7 194.0 3.2 195.0 2.3 196.0 1.4 207.0 2.6 208.0 3.7 209.0 1.9 210.0 1.2 221.0 2.8 222.0 3.7 223.0 1.5 224.0 1.0 235.0 3.0 236.0 4.2 237.0 1.4 249.0 3.2 250.0 4.9 251.0 1.4 263.0 3.1 264.0 3.0 277.0 2.6 278.0 2.2 290.0 1.7 291.0 2.5 292.0 4.0 293.0 1.0 305.0 1.4 306.0 1.3 316.0 1.4 334.0 18.1 335.0 5.0
400 MHz in CDCl3
-
1H NMR 399.65 MHz C23 H44 O2 0.030 g : 0.5 ml CDCl3 22-tricosenoic acid 
Assign. Shift(ppm)
A 11. B 5.811 C 4.990 D 4.925 E 2.345 F 2.038 G 1.628 J 1.37 K 1.26 J(B,C)=17.1HZ J(B,D)=10.3HZ J(B,F)=6.6HZ
Hz ppm Int.944.91 2.365 36 937.43 2.346 62 929.74 2.327 39 818.20 2.048 30 500.88 1.254 1000
in CDCl3
KBr disc
nujol mull
