ISOPROPYL (S)-(-)-LACTATE(616-09-1) 13C NMR
Product NameISOPROPYL (S)-(-)-LACTATE
CAS616-09-1
Molecular FormulaC6H12O3
Molecular Weight132.16
InChIInChI=1S/C6H12O3/c1-3-4-9-6(8)5(2)7/h5,7H,3-4H2,1-2H3
InChIKey ILVGAIQLOCKNQA-UHFFFAOYSA-N
SmilesC(OCCC)(=O)C(O)C
-
MassMS-IW-9142 propyl lactate C6H12O3 (Mass of molecular ion: 132)
Source Temperature: 200 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.3 19.0 2.0 27.0 8.8 28.0 3.5 29.0 3.9 31.0 3.7 39.0 2.6 41.0 10.4 42.0 3.6 43.0 28.4 44.0 2.7 45.0 100.0 46.0 2.4 56.0 1.0 59.0 1.9 75.0 5.1 91.0 1.0
400 MHz in CDCl3
-
1H NMR 399.65 MHz C6 H12 O3 0.05 ml : 0.5 ml CDCl3 propyl lactate 
Assign. Shift(ppm)
A 4.291 B *1 4.161 C *1 4.125 D 3.29 E 1.69 F 1.424 G 0.958
Hz ppm Int.1720.21 4.305 62 1715.45 4.293 69 1713.38 4.288 68 1710.69 4.281 41 1708.50 4.275 61 1676.27 4.195 41 1669.56 4.178 87 1665.65 4.168 164 1662.84 4.161 57 1659.06 4.152 379 1652.59 4.136 370 1648.68 4.126 52 1646.00 4.119 165 1641.97 4.109 83 1635.38 4.093 42 694.46 1.738 51 687.01 1.720 172 680.30 1.703 321 672.85 1.684 325 666.14 1.667 176 665.65 1.666 139 658.81 1.649 55 572.75 1.434 1000 565.80 1.416 981 390.26 0.977 574 382.93 0.959 944 378.30 0.947 32 375.37 0.940 512
in CDCl3
liquid film
