1-Triacontanol(593-50-0) IR1
Product Name1-Triacontanol
CAS593-50-0
Molecular FormulaC30H62O
Molecular Weight438.81
InChIInChI=1S/C30H62O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31/h31H,2-30H2,1H3
InChIKey REZQBEBOWJAQKS-UHFFFAOYSA-N
SmilesC(O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC
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MassMS-NW-7071 1-triacontanol C30H62O (Mass of molecular ion: 438)
Source Temperature: 220 °C Sample Temperature: 170 °C Direct, 75 eV
18.0 1.1 27.0 4.2 28.0 1.2 29.0 14.1 31.0 4.6 39.0 3.1 41.0 41.2 42.0 11.3 43.0 87.7 44.0 3.1 45.0 1.0 53.0 1.8 54.0 7.4 55.0 70.7 56.0 31.4 57.0 100.0 58.0 4.6 66.0 1.4 67.0 13.2 68.0 27.4 69.0 64.4 70.0 30.1 71.0 53.6 72.0 3.2 73.0 1.4 80.0 1.2 81.0 11.0 82.0 42.5 83.0 77.9 84.0 21.7 85.0 33.3 86.0 2.5 95.0 7.9 96.0 23.3 97.0 79.0 98.0 15.6 99.0 12.1 109.0 4.2 110.0 9.1 111.0 43.9 112.0 11.9 113.0 8.0 123.0 2.9 124.0 7.0 125.0 26.8 126.0 9.1 127.0 5.8 137.0 2.3 138.0 5.5 139.0 15.8 140.0 6.7 141.0 4.6 152.0 4.1 153.0 11.1 154.0 5.4 155.0 3.5 166.0 2.9 167.0 8.2 168.0 4.5 169.0 2.8 180.0 2.6 181.0 6.2 182.0 4.0 183.0 2.3 194.0 2.5 195.0 5.2 196.0 3.2 197.0 1.7 208.0 2.2 209.0 4.1 210.0 2.8 211.0 1.5 222.0 2.1 223.0 3.4 224.0 2.3 225.0 1.3 236.0 1.8 237.0 2.7 238.0 2.1 239.0 1.0 250.0 1.6 251.0 2.2 252.0 1.8 264.0 1.6 265.0 2.0 266.0 1.4 278.0 1.3 279.0 1.8 280.0 1.5 292.0 1.4 293.0 1.4 294.0 1.4 306.0 1.1 307.0 1.3 308.0 1.5 320.0 1.0 321.0 1.1 322.0 1.4 335.0 1.1 336.0 1.4 349.0 1.0 350.0 1.0 392.0 4.0 393.0 1.2 418.0 1.1 420.0 8.4 421.0 2.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C30 H62 O 0.037 g : 0.5 ml CDCl3 1-triacontanol 
Assign. Shift(ppm)
A 3.65 B 1.56 C 1.26 D 1.11 E 0.88
Hz ppm Int.123.50 1.379 45 123.00 1.374 46 122.69 1.370 49 121.94 1.362 55 121.44 1.356 56 112.56 1.257 1000 104.25 1.165 70 103.38 1.155 63 102.81 1.148 61 102.50 1.145 62 102.13 1.141 56 101.63 1.135 55 101.13 1.130 55 100.81 1.126 55 100.00 1.117 57 99.00 1.106 64 98.63 1.102 63
in CDCl3
KBr disc
nujol mull
