ISOPROPYL (S)-(-)-LACTATE(616-09-1) MS

Product NameISOPROPYL (S)-(-)-LACTATE

CAS 616-09-1

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

Request For Quotation

¹HNMR

¹³CNMR

IR1

Mass

MS-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