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MS-IW-9344 1,2-cyclododecanediol C12H24O2 (Mass of molecular ion: 200)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.2 18.0 4.1 19.0 1.5 27.0 16.6 28.0 8.5 29.0 34.1 30.0 1.7 31.0 10.6 39.0 14.4 40.0 3.0 41.0 76.7 42.0 18.3 43.0 54.1 44.0 20.5 45.0 9.9 47.0 1.0 53.0 7.1 54.0 25.2 55.0 96.3 56.0 28.2 57.0 77.2 58.0 9.6 59.0 2.8 60.0 1.8 61.0 2.0 65.0 1.4 66.0 7.6 67.0 56.8 68.0 50.5 69.0 49.6 70.0 39.6 71.0 23.8 72.0 5.1 73.0 4.1 74.0 8.6 75.0 2.9 77.0 1.8 78.0 1.5 79.0 14.8 80.0 20.0 81.0 47.1 82.0 100.0 83.0 59.5 84.0 23.6 85.0 20.8 86.0 4.3 87.0 7.2 91.0 1.3 93.0 13.0 94.0 16.0 95.0 36.8 96.0 54.2 97.0 34.7 98.0 26.9 99.0 4.9 100.0 2.8 101.0 10.9 107.0 9.3 108.0 9.2 109.0 13.8 110.0 12.4 111.0 14.0 112.0 8.0 113.0 2.2 114.0 1.2 115.0 2.8 121.0 17.2 122.0 8.2 123.0 6.1 124.0 4.5 125.0 5.2 126.0 5.8 127.0 1.2 135.0 12.4 136.0 8.5 137.0 2.1 138.0 5.5 139.0 3.1 140.0 1.2 149.0 1.7 151.0 1.5 152.0 1.0 153.0 1.1 154.0 1.3 164.0 4.1 165.0 1.0 169.0 3.3 182.0 3.4 183.0 1.5
400 MHz at 60C
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1H NMR 399.65 MHz C12 H24 O2 0.040 g : 0.5 ml CDCl3 at 60 C 1,2-cyclododecanediol Assign. Shift(ppm)
A 3.788 A 3.665 B 2.42 B 2.15 C 1.70 C 1.57 D 1.45 D 1.38 E 1.34 CIS-TRANS MIXTURE
Hz ppm Int.
1464.97 3.666 290 966.67 2.419 103 675.54 1.691 133 628.66 1.574 149 575.07 1.439 284 550.17 1.377 852 537.84 1.346 1000 498.54 1.248 30
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