2-BROMOPROPIONIC ACID TERT-BUTYL ESTER(39149-80-9) IR1
Product Name2-BROMOPROPIONIC ACID TERT-BUTYL ESTER
CAS39149-80-9
Molecular FormulaC7H13BrO2
Molecular Weight209.08
InChIInChI=1S/C7H13BrO2/c1-5(8)6(9)10-7(2,3)4/h5H,1-4H3
InChIKey CVAWKJKISIPBOD-UHFFFAOYSA-N
SmilesC(OC(C)(C)C)(=O)C(Br)C
-
MassMS-IW-1898 tert-butyl 2-bromopropionate C7H13BrO2 (Mass of molecular ion: 208)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
26.0 1.4 27.0 9.1 28.0 4.4 29.0 13.1 39.0 4.7 41.0 24.0 42.0 1.4 43.0 4.1 55.0 3.1 56.0 7.8 57.0 100.0 58.0 5.1 59.0 13.3 107.0 11.0 109.0 10.8 135.0 13.2 137.0 12.7 193.0 3.6 195.0 3.6
parameter in CDCl3
-
1H NMR 300 MHz C7 H13 Br O2 0.05 ml : 0.5 ml CDCl3 tert-butyl 2-bromopropionate 
Parameter ppm Hz
D(A) 4.269 D(B) 1.774 J(A,B) 6.9 D(C) 1.481
Hz ppm Int.1291.10 4.304 14 1284.21 4.281 41 1277.32 4.258 42 1270.42 4.235 14 535.63 1.785 168 528.77 1.763 165 444.30 1.481 1000
in CDCl3
liquid film
4880 A,200 M,liquid
