1-METHOXY-2-BUTANOL(53778-73-7) Raman
Product Name1-METHOXY-2-BUTANOL
CAS53778-73-7
Molecular FormulaC5H12O2
Molecular Weight104.15
InChIInChI=1S/C5H12O2/c1-3-5(6)4-7-2/h5-6H,3-4H2,1-2H3
InChIKey CSZZMFWKAQEMPB-UHFFFAOYSA-N
SmilesC(OC)C(O)CC
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MassMS-NW-1068 1-methoxy-2-butanol C5H12O2 (Mass of molecular ion: 104)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 6.2 18.0 1.3 27.0 6.7 28.0 2.6 29.0 6.4 31.0 48.2 33.0 2.3 39.0 2.9 41.0 19.8 42.0 1.3 43.0 13.1 44.0 2.0 45.0 40.2 46.0 3.1 47.0 20.9 55.0 3.5 57.0 5.0 58.0 32.7 59.0 100.0 60.0 3.6 71.0 2.0 73.0 7.5 75.0 20.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H12 O2 0.04 ml : 0.5 ml CDCl3 1-methoxy-2-butanol 
Assign. Shift(ppm)
A 3.69 B 3.389 C *1 3.39 D *1 3.27 E 2.58 F 1.47 G 0.97 J(A,C)=3.2HZ J(A,D)=7.6HZ J(C,D)=-9.4HZ
Hz ppm Int.326.69 3.648 35 313.13 3.497 32 309.94 3.461 33 303.50 3.389 1000 300.50 3.356 105 298.13 3.329 123 290.44 3.243 81 288.69 3.224 36 231.44 2.585 338 139.50 1.558 41 138.94 1.552 35 133.44 1.490 47 131.88 1.473 60 125.69 1.404 72 94.06 1.051 67 93.25 1.042 111 92.44 1.033 72 86.56 0.967 192 84.50 0.944 45 79.50 0.888 33 78.63 0.878 51 77.13 0.862 30
in CDCl3
liquid film
4880 A,200 M,liquid
