2,3,4-TRIMETHYL-3-PENTANOL(3054-92-0) MS
Product Name2,3,4-TRIMETHYL-3-PENTANOL
CAS3054-92-0
Molecular FormulaC8H18O
Molecular Weight130.23
InChIInChI=1S/C8H18O/c1-6(2)8(5,9)7(3)4/h6-7,9H,1-5H3
InChIKey PLSMHHUFDLYURK-UHFFFAOYSA-N
SmilesCC(C)C(C)(O)C(C)C
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MassMS-IW-8364 2,3,4-trimethyl-3-pentanol C8H18O (Mass of molecular ion: 130)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 2.9 27.0 5.8 29.0 3.1 39.0 5.7 41.0 30.5 42.0 2.8 43.0 20.4 45.0 20.7 53.0 2.6 55.0 26.2 56.0 4.8 57.0 9.8 59.0 2.3 67.0 2.1 68.0 1.8 69.0 53.4 70.0 10.2 71.0 13.0 73.0 1.5 81.0 1.2 86.0 1.3 87.0 100.0 88.0 6.1 97.0 19.2 98.0 1.5 112.0 7.5 115.0 2.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H18 O 0.05 ml : 0.5 ml CDCl3 2,3,4-trimethyl-3-pentanol 
Assign. Shift(ppm)
A 1.821 B 1.18 C 0.997 D *1 0.916 E *1 0.881
Hz ppm Int.741.94 1.857 62 735.11 1.840 156 728.27 1.823 214 721.44 1.806 172 714.60 1.789 74 471.44 1.180 53 398.44 0.997 1000 369.51 0.925 835 362.67 0.908 857 355.71 0.891 916 348.75 0.873 947
in CDCl3
liquid film
