2,4-DIMETHYL-3-PENTANOL(3970-62-5) Raman
Product Name2,4-DIMETHYL-3-PENTANOL
CAS3970-62-5
Molecular FormulaC7H16O
Molecular Weight116.2
InChIInChI=1S/C7H16O/c1-5-6(8)7(2,3)4/h6,8H,5H2,1-4H3
InChIKey HMSVXZJWPVIVIV-UHFFFAOYSA-N
SmilesCC(C)(C)C(O)CC
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MassMS-IW-3507 2,2-dimethyl-3-pentanol C7H16O (Mass of molecular ion: 116)
Source Temperature: 210 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 1.0 27.0 10.1 28.0 3.0 29.0 22.3 30.0 1.0 31.0 26.1 39.0 10.5 40.0 1.7 41.0 57.8 42.0 3.3 43.0 15.0 45.0 34.7 53.0 2.2 55.0 9.9 56.0 31.4 57.0 87.3 58.0 49.3 59.0 100.0 60.0 5.2 67.0 1.1 69.0 24.2 70.0 2.4 71.0 2.6 83.0 4.0 87.0 51.5 88.0 2.9 101.0 6.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H16 O 0.05 ml : 0.5 ml CDCl3 2,2-dimethyl-3-pentanol 
Assign. Shift(ppm)
A 3.082 B 1.91 C 1.59 D 1.23 E 1.004 F 0.892 J(C,D)=-13.9HZ J(C,E)=7.6HZ J(C,A)=2.0HZ J(A,D)=10.5HZ
Hz ppm Int.1238.28 3.099 81 1236.33 3.094 84 1227.78 3.073 84 1225.83 3.068 85 646.24 1.618 33 644.29 1.613 34 638.67 1.599 40 636.72 1.594 40 632.32 1.583 42 630.37 1.578 45 624.76 1.564 42 622.80 1.559 42 509.52 1.275 35 502.32 1.257 43 498.90 1.249 35 495.48 1.240 41 491.70 1.231 42 488.40 1.223 34 484.99 1.214 39 477.78 1.196 31 408.20 1.022 235 400.88 1.004 379 393.43 0.985 183 356.69 0.893 1000
in CDCl3
liquid film
