14883-87-5

DL-3,4-二羟基杏仁酸(14883-87-5)核磁图(¹HNMR)

产品名称:DL-3,4-二羟基杏仁酸

CAS:14883-87-5

分子式:C8H8O5

分子量: 184.15

InChI:InChI=1S/C8H8O5/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7,9-11H,(H,12,13)

InChIKey: RGHMISIYKIHAJW-UHFFFAOYSA-N

Smiles:C1(C(O)C(=O)O)C=CC(O)=C(O)C=1

¹HNMR

IR1

IR2

Mass

MS-NW-2054          
DL-3,4-dihydroxymandelic acid
C8H8O5              (Mass of molecular ion:    184)

   Source Temperature: 220 °C
   Sample Temperature: 200 °C
   Direct, 75 eV

      20.0       1.1
      26.0       3.8
      27.0      10.4
      28.0      33.8
      29.0       7.4
      30.0       1.1
      31.0       4.8
      32.0       1.5
      37.0       3.7
      38.0      10.8
      39.0      31.4
      40.0      26.0
      41.0      49.6
      42.0       4.5
      43.0       6.4
      44.0     100.0
      45.0       5.2
      46.0       2.6
      47.0       1.1
      49.0       1.8
      50.0       9.0
      51.0      14.2
      52.0       5.8
      53.0       8.5
      54.0       5.8
      55.0      12.5
      56.0       2.8
      57.0       6.1
      59.0       2.7
      60.0       2.7
      61.0       2.4
      62.0       4.6
      63.0      11.4
      64.0      10.9
      65.0      31.2
      66.0      13.5
      67.0       4.0
      68.0       2.7
      69.0       4.5
      70.0       2.0
      71.0       2.8
      73.0       3.4
      74.0       1.9
      75.0       1.9
      76.0       3.7
      77.0      11.1
      78.0       4.6
      79.0       3.4
      80.0       1.1
      81.0      13.8
      82.0      15.7
      83.0       3.9
      84.0       1.8
      85.0       1.8
      91.0       2.1
      92.0      10.8
      93.0      28.2
      94.0      14.9
      95.0       3.4
      96.0       1.7
      97.0       2.5
      98.0       3.9
      99.0       1.0
     104.0       1.0
     105.0       3.5
     106.0       2.3
     107.0       1.7
     108.0       1.3
     109.0      12.3
     110.0      13.3
     111.0       8.3
     112.0       1.5
     119.0       1.1
     120.0       4.9
     121.0       6.0
     122.0      28.2
     123.0      72.6
     124.0       9.0
     125.0       1.7
     129.0       1.4
     137.0      42.4
     138.0      45.4
     139.0      37.6
     140.0       2.9
     148.0       1.8
     149.0       2.3
     150.0       4.8
     166.0      39.1
     167.0       3.6
     168.0      27.0
     169.0       2.3
     184.0      11.0
     185.0       1.3