2-Methylbutyl acetate(624-41-9) MS
Product Name2-Methylbutyl acetate
CAS624-41-9
Molecular FormulaC7H14O2
Molecular Weight130.18
InChIInChI=1S/C7H14O2/c1-4-6(2)5-9-7(3)8/h6H,4-5H2,1-3H3
InChIKey XHIUFYZDQBSEMF-UHFFFAOYSA-N
SmilesC(OC(=O)C)C(C)CC
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MassMS-NW-9411 2-methylbutyl acetate C7H14O2 (Mass of molecular ion: 130)
Source Temperature: 260 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 2.9 27.0 4.3 28.0 1.3 29.0 8.2 31.0 1.1 39.0 3.5 41.0 10.2 42.0 8.0 43.0 100.0 44.0 2.5 45.0 2.2 55.0 16.4 56.0 3.8 57.0 6.2 61.0 3.3 69.0 1.4 70.0 34.3 71.0 2.9 72.0 5.3 73.0 15.7 74.0 5.4 85.0 1.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H14 O2 0.05 ml : 0.5 ml CDCl3 2-methylbutyl acetate 
Assign. Shift(ppm)
A *1 3.952 B *1 3.868 C 2.050 D 1.703 E *2 1.437 F *2 1.189 G 0.92 J 0.91 J(A,B)=-10.7HZ J(A,D)=6.1HZ J(B,D)=6.8HZ J(E,F)=-13.7HZ J(F,J)=J(E,J)=7.5HZ J(D,F)=7.7HZ J(D,E)=5.6HZ
Hz ppm Int.1589.36 3.977 74 1583.25 3.962 76 1578.61 3.950 131 1572.51 3.935 134 1553.22 3.887 132 1546.39 3.870 133 1542.48 3.860 78 1535.77 3.843 78 819.21 2.050 1000 684.81 1.714 43 678.10 1.697 46 671.88 1.682 34 588.75 1.474 33 583.01 1.459 39 581.18 1.455 37 575.32 1.440 60 569.58 1.426 40 567.63 1.421 50 562.01 1.407 40 489.01 1.224 46 481.45 1.205 66 475.34 1.190 42 473.88 1.186 47 467.90 1.171 52 460.33 1.152 34 371.95 0.931 744 366.70 0.918 132 365.23 0.914 605 364.50 0.913 745 357.18 0.894 258
in CDCl3
liquid film
