tert-Butyl acetoacetate(1694-31-1) IR2
Product Nametert-Butyl acetoacetate
CAS1694-31-1
Molecular FormulaC8H14O3
Molecular Weight158.2
InChIInChI=1S/C8H14O3/c1-6(9)5-7(10)11-8(2,3)4/h5H2,1-4H3
InChIKey JKUYRAMKJLMYLO-UHFFFAOYSA-N
SmilesC(OC(C)(C)C)(=O)CC(=O)C
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MassMS-NW-1091 tert-butyl acetoacetate C8H14O3 (Mass of molecular ion: 158)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
14.0 1.8 15.0 11.4 18.0 1.1 26.0 2.8 27.0 11.7 28.0 5.1 29.0 23.0 31.0 14.0 37.0 1.2 38.0 1.9 39.0 13.5 40.0 2.6 41.0 48.1 42.0 8.8 43.0 90.9 44.0 10.1 50.0 1.0 53.0 1.2 55.0 4.5 56.0 16.3 57.0 100.0 58.0 8.7 59.0 56.1 60.0 2.0 69.0 6.1 84.0 6.3 85.0 39.5 86.0 1.8 101.0 2.7 102.0 3.4 103.0 20.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H14 O3 0.04 ml : 0.5 ml CDCl3 tert-butyl acetoacetate 
Assign. Shift(ppm)
A 3.353 B 2.254 C 1.476
Hz ppm Int.300.63 3.357 122 300.19 3.352 127 201.94 2.255 260 132.19 1.476 1000
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
