1,4-DIACETOXYBUTANE(628-67-1) IR1
Product Name1,4-DIACETOXYBUTANE
CAS628-67-1
Molecular FormulaC8H14O4
Molecular Weight174.19
InChIInChI=1S/C8H14O4/c1-7(9)11-5-3-4-6-12-8(2)10/h3-6H2,1-2H3
InChIKey XUKSWKGOQKREON-UHFFFAOYSA-N
SmilesC(OC(=O)C)CCCOC(=O)C
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MassMS-KW-0489 tetramethylene diacetate C8H14O4 (Mass of molecular ion: 174)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 2.9 27.0 1.5 28.0 1.3 29.0 1.4 39.0 1.7 41.0 3.0 42.0 10.5 43.0 100.0 44.0 3.0 45.0 1.0 54.0 35.1 55.0 6.5 58.0 2.5 60.0 1.0 61.0 12.6 71.0 17.7 72.0 2.2 73.0 9.2 84.0 1.1 86.0 3.4 87.0 1.9 101.0 2.7 102.0 1.0 103.0 1.9 114.0 3.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H14 O4 0.05 ml : 0.5 ml CDCl3 tetramethylene diacetate 
Assign. Shift(ppm)
A 4.103 B 2.051 C 1.720
Hz ppm Int.373.13 4.167 57 371.88 4.153 53 369.38 4.125 72 366.81 4.096 151 365.69 4.084 71 364.63 4.072 64 361.69 4.039 49 360.69 4.028 50 183.75 2.052 1000 180.19 2.012 25 159.69 1.784 61 158.56 1.771 50 156.31 1.746 81 153.44 1.714 178 150.75 1.684 71 148.31 1.656 41 147.19 1.644 47
in CDCl3
liquid film
4880 A,200 M,liquid
