Squalane(111-01-3) MS
Molecular FormulaC30H62
Molecular Weight422.81
InChIInChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3
InChIKey PRAKJMSDJKAYCZ-UHFFFAOYSA-N
SmilesCC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C
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MassMS-NW-2144 2,6,10,15,19,23-hexamethyltetracosane C30H62 (Mass of molecular ion: 422)
Source Temperature: 210 °C Sample Temperature: 160 °C Direct, 75 eV
18.0 1.8 27.0 1.4 28.0 1.1 29.0 5.6 39.0 1.1 41.0 14.0 42.0 3.3 43.0 42.4 44.0 1.5 55.0 17.8 56.0 17.4 57.0 100.0 58.0 4.4 67.0 1.5 68.0 1.7 69.0 14.6 70.0 11.2 71.0 78.3 72.0 4.2 81.0 1.6 82.0 1.9 83.0 8.9 84.0 6.9 85.0 44.0 86.0 3.0 95.0 1.7 96.0 3.3 97.0 9.8 98.0 3.7 99.0 25.6 100.0 1.9 109.0 1.0 110.0 2.8 111.0 9.8 112.0 20.7 113.0 34.7 114.0 2.9 125.0 4.2 126.0 10.0 127.0 21.0 128.0 2.1 139.0 1.5 140.0 2.8 141.0 14.0 142.0 1.5 153.0 1.2 154.0 3.5 155.0 12.7 156.0 1.5 169.0 9.3 170.0 1.2 181.0 2.1 182.0 13.1 183.0 24.9 184.0 3.2 196.0 3.2 197.0 7.1 211.0 5.4 225.0 3.8 238.0 8.5 239.0 16.9 240.0 3.1 253.0 2.2 266.0 6.5 267.0 8.3 268.0 1.5 281.0 1.3 308.0 1.7 309.0 1.7 336.0 2.9 337.0 4.4 338.0 1.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C30 H62 0.05 ml 0.5 ml CDCl3 2,6,10,15,19,23-hexamethyltetracosane 
Assign. Shift(ppm)
A 1.519 B 1.37 C 1.26 D 1.15 E 1.08 F 0.868 G 0.845
Hz ppm Int.622.80 1.559 44 616.21 1.542 86 609.62 1.526 110 603.03 1.509 94 596.31 1.493 60 546.63 1.368 91 501.46 1.255 363 458.25 1.147 132 431.27 1.080 165 350.22 0.877 994 343.51 0.860 1000 340.82 0.853 802 334.23 0.837 730
in CDCl3
CCl4 solution
liquid film
