515-30-0

DL-阿卓乳酸半水物(515-30-0)质谱(MS)

产品名称:DL-阿卓乳酸半水物

CAS:515-30-0

分子式:C9H10O3

分子量: 166.18

InChI:InChI=1S/C9H10O3/c1-9(12,8(10)11)7-5-3-2-4-6-7/h2-6,12H,1H3,(H,10,11)

InChIKey: NWCHELUCVWSRRS-UHFFFAOYSA-N

Smiles:C(C1C=CC=CC=1)(O)(C)C(=O)O

Mass

MS-NW-7445          
2-hydroxy-2-phenylpropionic acid
C9H10O3 1/2H2O      (Mass of molecular ion:    166)

   Source Temperature: 160 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      15.0       1.7
      18.0       1.7
      27.0       1.5
      28.0       1.4
      39.0       2.8
      43.0     100.0
      44.0       2.4
      45.0       1.4
      50.0       3.7
      51.0      10.3
      52.0       2.1
      63.0       1.4
      65.0       1.5
      74.0       1.4
      75.0       1.0
      76.0       1.4
      77.0      16.1
      78.0       4.6
      79.0       1.2
      91.0       2.3
     103.0       4.1
     104.0       3.5
     105.0       8.4
     106.0       1.3
     121.0      93.3
     122.0       7.1
     148.0       1.1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₉ H₁₀ O₃	0.038 g : 0.5 ml DMSO-d₆
2-hydroxy-2-phenylpropionic acid

    Assign.     Shift(ppm)

      A             7.522
      B             7.333
      C             7.259
      D             1.626

     Hz     ppm     Int.

   3012.33   7.538    216
   3010.86   7.534    285
   3008.79   7.529     90
   3004.64   7.519    164
   3003.78   7.517    295
   3003.17   7.515    259
   3002.56   7.513    276
   3000.37   7.508     44
   2940.06   7.357    108
   2939.21   7.355    166
   2937.38   7.350     71
   2932.01   7.337    335
   2930.54   7.333    180
   2925.78   7.321    101
   2924.19   7.317    199
   2922.12   7.312     41
   2907.84   7.276     81
   2906.49   7.273    148
   2905.15   7.270     90
   2901.37   7.260     62
   2899.17   7.255    164
   2896.97   7.249     48
   2893.19   7.240     38
   2891.97   7.237     64
   2890.63   7.233     34
    649.78   1.626   1000

in DMSO-d6