1-Iodododecane(4292-19-7) IR1
Product Name1-Iodododecane
CAS4292-19-7
Molecular FormulaC12H25I
Molecular Weight296.23
InChIInChI=1S/C12H25I/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3
InChIKey GCDPERPXPREHJF-UHFFFAOYSA-N
SmilesC(I)CCCCCCCCCCC
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MassMS-IW-4528 1-iodododecane C12H25I (Mass of molecular ion: 296)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 8.0 28.0 2.9 29.0 16.2 39.0 7.0 40.0 1.4 41.0 44.3 42.0 9.9 43.0 83.6 44.0 3.9 53.0 2.8 54.0 2.4 55.0 35.5 56.0 11.0 57.0 100.0 58.0 7.5 67.0 2.4 68.0 1.2 69.0 15.7 70.0 5.9 71.0 90.1 72.0 5.5 83.0 6.0 84.0 2.2 85.0 61.8 86.0 4.0 97.0 2.9 98.0 1.0 99.0 17.8 100.0 1.4 113.0 12.8 114.0 1.1 127.0 5.6 128.0 3.1 135.0 5.8 137.0 5.7 149.0 1.0 151.0 1.0 155.0 6.2 169.0 18.1 170.0 2.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H25 I 0.05 ml : 0.5 ml CDCl3 1-iodododecane 
Assign. Shift(ppm)
A 3.178 B 1.816 C 1.38 D 1.31 to 1.28 E 1.26 F 0.879
Hz ppm Int.1277.34 3.197 253 1270.26 3.179 487 1263.18 3.161 268 740.84 1.854 47 733.89 1.837 134 726.68 1.819 170 719.24 1.800 156 712.04 1.782 66 559.81 1.401 64 552.73 1.384 90 545.53 1.366 77 539.06 1.349 41 533.94 1.337 36 533.69 1.336 36 519.53 1.300 176 504.64 1.263 1000 361.82 0.906 22 358.52 0.898 170 351.81 0.881 502 344.73 0.863 212
in CDCl3
liquid film
