3-Methoxybutyl acetate(4435-53-4) MS
Product Name3-Methoxybutyl acetate
CAS4435-53-4
Molecular FormulaC7H14O3
Molecular Weight146.18
InChIInChI=1S/C7H14O3/c1-6(9-3)4-5-10-7(2)8/h6H,4-5H2,1-3H3
InChIKey QMYGFTJCQFEDST-UHFFFAOYSA-N
SmilesC(OC(=O)C)CC(OC)C
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MassMS-NW-4189 3-methoxybutyl acetate C7H14O3 (Mass of molecular ion: 146)
Source Temperature: 230 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 5.9 27.0 3.0 28.0 1.3 29.0 7.4 31.0 7.3 33.0 1.4 39.0 1.9 41.0 6.7 42.0 2.0 43.0 37.4 44.0 1.0 45.0 2.9 55.0 8.5 56.0 3.0 57.0 1.1 58.0 2.9 59.0 100.0 60.0 3.6 61.0 2.1 71.0 22.5 72.0 2.3 73.0 1.3 85.0 2.2 86.0 7.7 87.0 1.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H14 O3 0.04 ml : 0.5 ml CDCl3 3-methoxybutyl acetate 
Assign. Shift(ppm)
A 4.154 B 3.41 C 3.315 D 2.044 E 1.78 F 1.164 TWO PROTONS OF (E) ARE NOT EQUIVALENT.
Hz ppm Int.379.00 4.232 75 372.44 4.159 127 365.75 4.084 89 308.88 3.449 35 302.69 3.380 38 296.88 3.315 1000 183.06 2.044 765 169.25 1.890 33 168.00 1.876 32 162.75 1.818 73 161.06 1.799 55 156.38 1.747 65 155.38 1.735 55 154.00 1.720 29 149.88 1.674 24 148.38 1.657 23 107.31 1.199 372 101.19 1.130 348
in CDCl3
liquid film
4880 A,200 M,liquid
