ETHYL 3-HYDROXYBUTYRATE(35608-64-1) IR2
Product NameETHYL 3-HYDROXYBUTYRATE
CAS35608-64-1
Molecular FormulaC6H12O3
Molecular Weight132.16
InChIInChI=1S/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3
InChIKey OMSUIQOIVADKIM-UHFFFAOYSA-N
SmilesC(C(O)C)C(=O)OCC
-
MassMS-NW-1234 ethyl DL-3-hydroxybutyrate C6H12O3 (Mass of molecular ion: 132)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 3.2 15.0 10.4 18.0 2.3 19.0 5.7 26.0 2.4 27.0 18.4 28.0 9.7 29.0 34.1 31.0 10.4 32.0 1.2 39.0 4.4 41.0 6.5 42.0 25.5 43.0 100.0 44.0 6.7 45.0 94.0 46.0 2.5 47.0 3.7 55.0 1.5 58.0 4.8 59.0 1.1 60.0 44.1 61.0 20.1 69.0 3.3 70.0 10.8 71.0 37.2 72.0 1.3 73.0 2.2 74.0 1.2 75.0 6.1 85.0 9.1 86.0 2.0 87.0 39.9 88.0 41.3 89.0 12.2 99.0 1.0 103.0 3.5 114.0 2.4 117.0 23.8 118.0 1.3
90 MHz in CDCl3
-
1H NMR 89.56 MHz C6 H12 O3 0.04 ml : 0.5 ml CDCl3 ethyl DL-3-hydroxybutyrate 
Assign. Shift(ppm)
A 4.19 B 4.173 C 3.18 D *1 2.49 E *1 2.43 F 1.256 G 1.229
Hz ppm Int.384.56 4.294 97 377.38 4.214 290 373.25 4.168 42 370.19 4.134 299 367.31 4.102 25 367.00 4.098 25 363.19 4.056 103 284.81 3.181 60 222.69 2.487 455 217.44 2.428 196 215.75 2.410 201 121.38 1.356 376 114.31 1.277 872 113.25 1.265 826 109.38 1.222 25 107.00 1.195 1000
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
