72657-23-9

(-)-甲基-D-BATA-羥基異丁酸酯(72657-23-9)紅外圖譜(IR1)

產(chǎn)品名稱:(-)-甲基-D-BATA-羥基異丁酸酯

CAS:72657-23-9

分子式:C5H10O3

分子量: 118.13

InChI:InChI=1S/C5H10O3/c1-4(3-6)5(7)8-2/h4,6H,3H2,1-2H3/t4-/m1/s1

InChIKey: ATCCIZURPPEVIZ-SCSAIBSYSA-N

Smiles:C(OC)(=O)[C@H](C)CO

Mass

MS-IW-1317          
methyl (R)-3-hydroxy-2-methylpropionate
C5H10O3             (Mass of molecular ion:    118)

   Source Temperature: 230 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       8.4
      26.0       1.7
      27.0       7.2
      28.0      15.0
      29.0      14.7
      30.0       1.7
      31.0      38.7
      32.0       1.0
      33.0       3.0
      39.0       3.7
      40.0       1.1
      41.0      17.9
      42.0       5.0
      43.0       3.2
      45.0       5.0
      55.0      14.7
      56.0      32.9
      57.0      55.3
      58.0       5.9
      59.0      42.7
      60.0       2.9
      61.0       2.0
      68.0       1.6
      69.0      13.3
      71.0       5.1
      77.0       1.1
      85.0       8.8
      86.0       1.5
      87.0      44.0
      88.0     100.0
      89.0       4.9
     100.0      10.0
     101.0       1.1
     103.0       4.8
     119.0       1.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₅ H₁₀ O₃	0.05 ml : 0.5 ml CDCl₃
methyl (R)-3-hydroxy-2-methylpropionate

    Assign.     Shift(ppm)

      A     *1      3.74
      B             3.712
      C     *1      3.67
      D             3.39
      E             2.679
      F             1.213

     Hz     ppm     Int.

   1495.48   3.742     54
   1493.90   3.739     51
   1491.21   3.732     50
   1483.52   3.713   1000
   1473.75   3.688     51
   1468.87   3.676     72
   1463.75   3.663     57
   1458.01   3.649     39
   1358.76   3.400     44
   1354.13   3.389     85
   1080.69   2.705     63
   1075.68   2.692     68
   1073.49   2.687     97
   1068.48   2.674     97
   1066.28   2.669     71
   1061.16   2.656     66
    470.83   1.179    632
    463.62   1.161    657

in CDCl3