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2,3-dimethylbutan-1-ol (19550-30-2) MS
Product Name2,3-dimethylbutan-1-ol
CAS19550-30-2
Molecular FormulaC6H14O
Molecular Weight102.17
InChIInChI=1S/C6H14O/c1-5(2)6(3)4-7/h5-7H,4H2,1-3H3
InChIKey SXSWMAUXEHKFGX-UHFFFAOYSA-N
SmilesC(O)C(C)C(C)C
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MassMS-IW-5278 2,3-dimethyl-1-butanol C6H14O (Mass of molecular ion: 102)
Source Temperature: 200 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 1.1 18.0 1.7 26.0 1.0 27.0 16.8 28.0 3.2 29.0 19.0 30.0 1.2 31.0 23.7 38.0 1.0 39.0 15.7 40.0 2.8 41.0 55.3 42.0 42.6 43.0 100.0 44.0 5.7 45.0 21.4 51.0 1.2 53.0 3.7 54.0 1.0 55.0 24.8 56.0 13.5 57.0 13.1 58.0 3.4 59.0 11.2 60.0 1.1 61.0 1.9 67.0 1.3 69.0 52.0 70.0 24.6 71.0 97.4 72.0 5.9 73.0 1.0 83.0 2.2 84.0 43.4 85.0 7.0 87.0 1.0 127.0 2.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H14 O 0.049 g : 0.5 ml CDCl3 2,3-dimethyl-1-butanol 
Assign. Shift(ppm)
A *1 3.576 B *1 3.426 C 2.10 D 1.702 E 1.498 F *2 0.914 G 0.861 J *2 0.837 ASSIGNED BY H-H COSY. J(A,B)=10.6HZ J(A,E)=6.0HZ J(B,E)=7.1HZ
Hz ppm Int.1438.60 3.600 119 1432.62 3.585 123 1427.98 3.574 170 1422.12 3.559 174 1377.81 3.448 169 1370.85 3.431 173 1367.31 3.422 130 1360.23 3.404 128 838.75 2.099 55 690.92 1.729 60 685.79 1.716 73 684.08 1.712 88 678.96 1.699 96 677.25 1.695 75 672.12 1.682 76 670.41 1.678 37 665.28 1.665 33 611.69 1.531 44 605.83 1.516 61 604.86 1.514 74 599.00 1.499 88 593.75 1.486 65 592.77 1.484 63 592.04 1.482 64 586.79 1.469 42 368.77 0.923 859 361.94 0.906 856 347.66 0.870 1000 340.70 0.853 969 338.01 0.846 995 331.18 0.829 925
in CDCl3
