21620-60-0

2,3-二羟基-2-甲基-丙酸(21620-60-0)核磁图(¹³CNMR)

产品名称:2,3-二羟基-2-甲基-丙酸

CAS:21620-60-0

分子式:C4H8O4

分子量: 120.1

InChI:InChI=1S/C4H8O4/c1-4(8,2-5)3(6)7/h5,8H,2H2,1H3,(H,6,7)

InChIKey: DGADNPLBVRLJGD-UHFFFAOYSA-N

Smiles:C(O)(=O)C(O)(C)CO

Mass

MS-NW-8177          
2,3-dihydroxy-2-methylpropionic acid
C4H8O4              (Mass of molecular ion:    120)

   Source Temperature: 150 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      14.0       1.0
      15.0       5.8
      18.0       3.4
      19.0      14.4
      26.0       1.9
      27.0      11.1
      28.0       6.4
      29.0      37.0
      30.0       1.7
      31.0      22.4
      32.0       1.1
      39.0       1.9
      41.0       1.1
      42.0       5.0
      43.0      74.2
      44.0      34.0
      45.0       8.1
      47.0       6.6
      49.0       1.6
      55.0       4.5
      56.0       2.0
      57.0      48.4
      58.0       6.1
      59.0       2.3
      61.0       2.2
      71.0       2.1
      72.0      25.5
      73.0       2.0
      75.0      63.8
      76.0       2.3
      77.0       2.2
      85.0       1.4
      89.0       5.4
      90.0     100.0
      91.0       3.6
     102.0       1.2

90 MHz in D2O

¹H NMR	89.56 MHz
C₄ H₈ O₄	0.043 g : 0.5 ml D₂O
2,3-dihydroxy-2-methylpropionic acid

    Assign.     Shift(ppm)

      B     *1      3.798
      C     *1      3.599
      D             1.363
     
     J(B,C)=-11.7HZ
     THE SOLVENT SIGNAL REMOVED.

     Hz     ppm     Int.

    348.75   3.895     98
    337.06   3.764    266
    325.56   3.636    276
    313.81   3.504    102
    122.13   1.364   1000

in D2O

KBr disc

nujol mull

4880 A,200 M,powder

更多供应商

Hangzhou Sage Chemical Co., Ltd.

2,3-二羟基-2-甲基-丙酸(21620-60-0)核磁图(13CNMR)

2,3-二羟基-2-甲基-丙酸(21620-60-0)核磁图(¹³CNMR)