1-Chlorocarbonyl-1-methylethyl acetate(40635-66-3) MS
Product Name1-Chlorocarbonyl-1-methylethyl acetate
CAS40635-66-3
Molecular FormulaC6H9ClO3
Molecular Weight164.59
InChIInChI=1S/C6H9ClO3/c1-4(8)10-6(2,3)5(7)9/h1-3H3
InChIKey RBTCRFLJLUNCLL-UHFFFAOYSA-N
SmilesC(Cl)(=O)C(OC(C)=O)(C)C
-
MassMS-NW-6097 1-chloroformyl-1-methylethyl acetate C6H9ClO3 (Mass of molecular ion: 164)
Source Temperature: 270 °C Sample Temperature: 190 °C Reservoir, 75 eV
14.0 3.0 15.0 6.3 18.0 1.2 26.0 1.2 27.0 3.8 28.0 2.1 29.0 1.1 31.0 2.8 36.0 4.0 38.0 1.6 39.0 8.2 40.0 2.6 41.0 11.6 42.0 41.4 43.0 100.0 44.0 2.8 58.0 4.5 59.0 17.5 69.0 1.2 72.0 5.9 77.0 1.0 100.0 10.6 101.0 9.1 128.0 7.9
parameter in CDCl3
-
1H NMR 300 MHz C6 H9 Cl O3 0.05 ml : 0.5 ml CDCl3 1-chloroformyl-1-methylethyl acetate 
Parameter ppm Hz
D(A) 2.126 D(B) 1.630
Hz ppm Int.637.80 2.126 500 489.00 1.630 1000
in CDCl3
liquid film
4880 A,200 M,liquid
