Methyl 2-chloroacetoacetate(4755-81-1) 13C NMR
Product NameMethyl 2-chloroacetoacetate
CAS4755-81-1
Molecular FormulaC5H7ClO3
Molecular Weight150.56
InChIInChI=1S/C5H7ClO3/c1-3(7)4(6)5(8)9-2/h4H,1-2H3
InChIKey GYQRIAVRKLRQKP-UHFFFAOYSA-N
SmilesC(OC)(=O)C(Cl)C(=O)C
-
MassMS-NW-8521 methyl 2-chloroacetoacetate C5H7ClO3 (Mass of molecular ion: 150)
Source Temperature: 260 °C Sample Temperature: 140 °C Reservoir, 75 eV
15.0 10.9 26.0 1.3 27.0 4.8 28.0 1.4 29.0 2.9 31.0 1.7 41.0 1.7 42.0 5.0 43.0 100.0 44.0 2.8 48.0 1.1 55.0 1.1 59.0 3.6 62.0 1.0 69.0 2.7 76.0 5.7 78.0 1.9 108.0 5.5 110.0 1.8 118.0 2.4 119.0 1.8 150.0 1.7
parameter in CDCl3
-
1H NMR 300 MHz C5 H7 Cl O3 0.05 ml : 0.5 ml CDCl3 methyl 2-chloroacetoacetate 
Parameter ppm Hz
D(A) 4.864 D(B) 3.853 D(C) 2.397
Hz ppm Int.1459.21 4.864 333 1155.90 3.853 1000 719.09 2.397 1000
in CDCl3
liquid film
