(R)-(-)-2-甲基-2,4-戊二醇(99210-90-9)質(zhì)譜(MS)

產(chǎn)品名稱:(R)-(-)-2-甲基-2,4-戊二醇

CAS:99210-90-9

分子式:C6H14O2

分子量: 118.17

InChI:InChI=1/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/s3

InChIKey: SVTBMSDMJJWYQN-GQMHJJTINA-N

Smiles:C(O)(C)(C)C[C@H](O)C |&1:5,r|

Mass

MS-NW-5420          
(R)-(-)-2-methyl-2,4-pentanediol
C6H14O2             (Mass of molecular ion:    118)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       6.0
      17.0       1.3
      18.0       5.6
      19.0       1.5
      26.0       1.3
      27.0       7.7
      28.0       2.8
      29.0       6.6
      31.0      11.7
      38.0       1.4
      39.0      10.8
      40.0       3.1
      41.0      31.5
      42.0      13.9
      43.0      72.2
      44.0       6.4
      45.0      25.4
      51.0       1.2
      53.0       1.7
      54.0       1.2
      55.0       5.6
      56.0      35.5
      57.0      13.7
      58.0       4.2
      59.0     100.0
      60.0       3.7
      61.0       9.7
      67.0       5.3
      82.0       2.2
      83.0       1.0
      85.0      11.2
     103.0       4.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₄ O₂	0.04 ml : 0.5 ml CDCl₃
(R)-(-)-2-methyl-2,4-pentanediol

    Assign.     Shift(ppm)

      A             4.192
      B             3.78
      C     *1      1.64
      D     *1      1.47
      E     *2      1.303
      F     *2      1.250
      G             1.188

     Hz     ppm     Int.

    385.50   4.305     37
    382.06   4.266     49
    379.31   4.236     46
    376.06   4.199     74
    372.88   4.164     47
    369.94   4.131     52
    366.56   4.093     43
    338.38   3.779    871
    147.69   1.650    102
    138.50   1.547    291
    135.13   1.509    204
    124.00   1.385     61
    116.75   1.304    854
    112.00   1.251   1000
    109.25   1.220    860
    107.25   1.198     72
    105.38   1.177     30
    103.06   1.151    824

in CDCl3