1,2-CYCLODODECANEDIOL(15199-41-4) MS
Product Name1,2-CYCLODODECANEDIOL
CAS15199-41-4
Molecular FormulaC12H24O2
Molecular Weight200.32
InChIInChI=1S/C12H24O2/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h11-14H,1-10H2
InChIKey HAMFVYJFVXTJCJ-UHFFFAOYSA-N
SmilesC1(O)CCCCCCCCCCC1O
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MassMS-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
KBr disc
nujol mull
