3-甲氧基異丁酸甲酯(3852-11-7)核磁圖(¹³CNMR)

產(chǎn)品名稱:3-甲氧基異丁酸甲酯

CAS:3852-11-7

分子式:C6H12O3

分子量: 132.16

InChI:InChI=1S/C6H12O3/c1-5(4-8-2)6(7)9-3/h5H,4H2,1-3H3

InChIKey: LYLUAHKXJUQFDG-UHFFFAOYSA-N

Smiles:C(OC)(=O)C(C)COC

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-8104          
methyl 3-methoxy-2-methylpropionate
C6H12O3             (Mass of molecular ion:    132)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       6.8
      27.0       3.0
      28.0       2.9
      29.0       6.6
      31.0       3.5
      32.0       1.6
      33.0       1.3
      39.0       5.2
      40.0       1.2
      41.0      19.6
      42.0       4.0
      43.0       2.1
      45.0     100.0
      46.0       3.5
      47.0       1.3
      55.0       4.2
      56.0       4.7
      57.0       5.5
      59.0       9.8
      61.0       1.7
      68.0       1.7
      69.0      15.0
      70.0       1.0
      71.0       1.9
      72.0       7.9
      73.0      20.0
      74.0       1.7
      75.0       3.5
      85.0      13.7
      87.0       4.3
      91.0       5.4
      99.0       2.4
     100.0      25.0
     101.0      26.7
     102.0      12.9
     117.0      13.7
     133.0       1.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₁₂ O₃	0.05 ml : 0.5 ml CDCl₃
methyl 3-methoxy-2-methylpropionate

    Assign.     Shift(ppm)

      A             3.695
      B     *1      3.571
      C     *1      3.415
      D             3.334
      E             2.743
      F             1.163

     Hz     ppm     Int.

   1476.93   3.696    989
   1436.16   3.594    112
   1428.83   3.576    123
   1427.00   3.571    156
   1419.68   3.553    152
   1371.95   3.433    138
   1366.21   3.419    147
   1362.79   3.410    113
   1357.06   3.396    114
   1332.40   3.334   1000
   1106.57   2.769     57
   1100.83   2.755     61
   1099.37   2.751     88
   1093.63   2.737     84
   1092.16   2.733     68
   1086.43   2.719     56
   1085.08   2.716     24
    468.51   1.173    576
    461.30   1.155    611

in CDCl3