52373-72-5

(R)-(+)-2,2-二甲基-1,3-二氧戊环-4-羧酸甲酯(52373-72-5)核磁图(¹³CNMR)

产品名称:(R)-(+)-2,2-二甲基-1,3-二氧戊环-4-羧酸甲酯

CAS:52373-72-5

分子式:C7H12O4

分子量: 160.17

InChI:InChI=1S/C7H12O4/c1-7(2)10-4-5(11-7)6(8)9-3/h5H,4H2,1-3H3/t5-/m1/s1

InChIKey: DOWWCCDWPKGNGX-RXMQYKEDSA-N

Smiles:O1C[C@H](C(OC)=O)OC1(C)C

Mass

MS-KW-0167          
methyl (R)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
C7H12O4             (Mass of molecular ion:    160)

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

      15.0      10.4
      27.0       3.1
      28.0       4.1
      29.0       5.0
      30.0       1.0
      31.0       4.9
      32.0       1.2
      33.0       2.1
      39.0       3.0
      40.0       1.0
      41.0       7.2
      42.0       6.8
      43.0     100.0
      44.0       4.0
      45.0       1.9
      55.0       3.0
      58.0       5.0
      59.0      10.5
      60.0       1.0
      61.0       6.5
      71.0       3.4
      72.0       2.5
      73.0      11.8
      75.0       1.0
      83.0       1.4
      90.0       2.3
     101.0      27.4
     102.0       1.9
     103.0       1.5
     117.0       2.7
     145.0      45.1
     146.0       3.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₁₂ O₄	0.05 ml : 0.5 ml CDCl₃
methyl (R)-2,2-dimethyl-1,3-dioxolane-4-carboxylate

    Assign.     Shift(ppm)

      A             4.609
      B     *1      4.248
      C     *1      4.113
      E             3.783
      F     *2      1.498
      G     *2      1.407

     Hz     ppm     Int.

   1848.63   4.626     94
   1843.51   4.613    105
   1841.43   4.608    105
   1836.30   4.595    104
   1706.30   4.270    136
   1698.97   4.252    136
   1697.63   4.248    187
   1690.31   4.230    160
   1650.27   4.130    181
   1645.14   4.117    174
   1641.60   4.108    135
   1636.47   4.095    131
   1516.60   3.795     35
   1512.08   3.784   1000
    602.78   1.509     49
    599.00   1.499    550
    598.39   1.498    546
    562.87   1.409    589
    562.26   1.407    575

in CDCl3