100-79-8

2,2-二甲基-1,3-二氧戊環(huán)-4-甲醇(100-79-8)紅外圖譜(IR1)

產(chǎn)品名稱:2,2-二甲基-1,3-二氧戊環(huán)-4-甲醇

CAS:100-79-8

分子式:C6H12O3

分子量: 132.16

InChI:InChI=1S/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3

InChIKey: RNVYQYLELCKWAN-UHFFFAOYSA-N

Smiles:O1CC(CO)OC1(C)C

Mass

MS-NW-1299          
2,2-dimethyl-1,3-dioxolane-4-methanol
C6H12O3             (Mass of molecular ion:    132)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       9.4
      19.0       1.4
      27.0       5.5
      28.0       2.0
      29.0       6.6
      31.0      11.5
      39.0       4.6
      40.0       1.3
      41.0      10.7
      42.0      10.9
      43.0     100.0
      44.0       4.0
      45.0       2.0
      55.0       1.6
      57.0      27.6
      58.0       3.2
      59.0      21.2
      60.0       1.0
      61.0      16.3
      72.0      11.9
      73.0       5.7
      75.0       1.3
      83.0       2.0
     101.0      30.3
     102.0       1.7
     117.0      41.8
     118.0       2.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₂ O₃	0.04 ml : 0.5 ml CDCl₃
2,2-dimethyl-1,3-dioxolane-4-methanol

    Assign.     Shift(ppm)

      A             4.25
      B     *1      4.04
      C     *1      3.77
      D     *2      3.710
      E     *2      3.624
      F             2.59
      G     *3      1.44
      J     *3      1.38

     Hz     ppm     Int.

    386.06   4.311     36
    384.75   4.297     56
    382.19   4.268     37
    380.88   4.253     64
    379.75   4.241     81
    378.31   4.225     50
    376.00   4.199     67
    374.56   4.183     60
    373.38   4.170     69
    369.13   4.122    175
    362.88   4.052     55
    361.25   4.034    275
    355.00   3.964    170
    344.75   3.850    255
    342.25   3.822     51
    338.44   3.779    230
    336.94   3.763    152
    330.69   3.693    344
    327.75   3.660    273
    326.88   3.650    250
    322.88   3.606    172
    316.19   3.531     36
    311.19   3.475     31
    232.25   2.594    216
    129.38   1.445    919
    128.88   1.440    967
    123.31   1.377   1000
    122.75   1.371    846

CCl4 solution