3-Methoxy-1-butanol(2517-43-3) IR1
Product Name3-Methoxy-1-butanol
CAS2517-43-3
Molecular FormulaC5H12O2
Molecular Weight104.15
InChIInChI=1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3
InChIKey JSGVZVOGOQILFM-UHFFFAOYSA-N
SmilesC(O)CC(OC)C
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MassMS-NW-9315 3-methoxy-1-butanol C5H12O2 (Mass of molecular ion: 104)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 2.2 27.0 3.8 28.0 1.5 29.0 11.1 31.0 18.8 33.0 7.1 39.0 3.2 41.0 7.0 42.0 5.2 43.0 8.1 45.0 4.2 55.0 5.7 56.0 1.8 57.0 5.5 58.0 2.8 59.0 100.0 60.0 4.0 71.0 4.6 72.0 2.4 73.0 1.3 86.0 2.1 89.0 6.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H12 O2 0.04 ml : 0.5 ml CDCl3 3-methoxy-1-butanol 
Assign. Shift(ppm)
A 3.744 B 3.59 C 3.346 D 2.92 E 1.73 F 1.187
Hz ppm Int.341.63 3.815 63 336.06 3.753 110 330.06 3.686 87 323.19 3.609 39 317.13 3.541 42 311.00 3.473 23 299.69 3.347 1000 261.44 2.920 104 163.50 1.826 35 162.88 1.819 31 158.00 1.765 54 157.13 1.755 91 151.94 1.697 64 151.38 1.691 73 145.63 1.627 39 109.25 1.220 366 103.13 1.152 345
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
