2.2.4-TRIMETHYL-1-PENTANOL(123-44-4) Raman
Product Name2.2.4-TRIMETHYL-1-PENTANOL
CAS123-44-4
Molecular FormulaC8H18O
Molecular Weight130.23
InChIInChI=1S/C8H18O/c1-7(2)5-8(3,4)6-9/h7,9H,5-6H2,1-4H3
InChIKey CWPPDTVYIJETDF-UHFFFAOYSA-N
SmilesC(O)C(C)(C)CC(C)C
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MassMS-NW-1342 2,2,4-trimethyl-1-pentanol C8H18O (Mass of molecular ion: 130)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 6.7 28.0 2.0 29.0 8.0 31.0 4.1 39.0 5.2 41.0 20.4 42.0 1.7 43.0 43.5 44.0 1.4 45.0 3.3 53.0 1.2 55.0 19.2 56.0 6.8 57.0 100.0 58.0 4.5 59.0 1.6 69.0 3.2 70.0 3.3 71.0 1.8 72.0 1.2 73.0 8.0 83.0 6.1 97.0 4.5 98.0 6.6 99.0 21.1 100.0 1.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H18 O 0.04 ml : 0.5 ml CDCl3 2,2,4-trimethyl-1-pentanol 
Assign. Shift(ppm)
A 3.300 B 1.73 C 1.70 D 1.176 E 0.923 F 0.896
Hz ppm Int.295.56 3.301 326 154.56 1.726 173 107.56 1.201 137 102.19 1.142 99 86.13 0.962 376 82.19 0.918 27 80.25 0.897 1000
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
