4911-70-0

2-羥基-2,3-二甲基戊醇95%(4911-70-0)質(zhì)譜(MS)

產(chǎn)品名稱:2-羥基-2,3-二甲基戊醇95%

CAS:4911-70-0

分子式:C7H16O

分子量: 116.2

InChI:InChI=1S/C7H16O/c1-5-6(2)7(3,4)8/h6,8H,5H2,1-4H3

InChIKey: YRSIFCHKXFKNME-UHFFFAOYSA-N

Smiles:CC(C)(O)C(C)CC

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-3509          
2,3-dimethyl-2-pentanol
C7H16O              (Mass of molecular ion:    116)

   Source Temperature: 210 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      27.0       3.9
      28.0       1.0
      29.0       5.1
      31.0       8.8
      39.0       3.8
      41.0      12.2
      42.0       1.1
      43.0      10.3
      45.0      16.4
      53.0       1.0
      55.0       5.6
      56.0       1.0
      57.0      10.4
      58.0       5.1
      59.0     100.0
      60.0       4.9
      69.0       2.8
      83.0       4.3
      87.0       1.2
     101.0      14.4
     102.0       1.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₁₆ O	0.05 ml : 0.5 ml CDCl₃
2,3-dimethyl-2-pentanol

    Assign.     Shift(ppm)

      A             1.80
      B     *1      1.683
      C             1.308
      D     *2      1.151
      E     *2      1.141
      F     *1      0.95
      G             0.92
      J             0.893
     
     ASSIGNED BY C-H AND H-H COSY.

     Hz     ppm     Int.

    721.19   1.805    198
    684.45   1.713     35
    683.84   1.712     41
    683.35   1.710     39
    676.76   1.694     58
    676.27   1.693     58
    674.68   1.689     52
    674.19   1.687     52
    673.58   1.686     45
    671.88   1.682     59
    671.26   1.680     54
    669.07   1.675     59
    668.58   1.673     62
    667.36   1.670     54
    666.75   1.669     57
    665.41   1.665     50
    664.79   1.664     50
    533.57   1.336     30
    530.88   1.329     68
    528.08   1.322     45
    527.47   1.320     46
    526.86   1.319     47
    524.05   1.312     79
    521.97   1.307     62
    520.63   1.303     79
    518.43   1.298     37
    517.33   1.295     46
    516.48   1.293     51
    513.79   1.286     68
    469.85   1.176     32
    460.33   1.152    996
    459.84   1.151   1000
    456.54   1.143    936
    456.05   1.142    922
    446.53   1.118     40
    395.39   0.990     47
    391.36   0.980     32
    388.06   0.971     79
    385.01   0.964     42
    383.30   0.960     49
    382.20   0.957     68
    377.69   0.946    117
    375.98   0.941    140
    373.29   0.935    508
    370.85   0.928    454
    369.14   0.924    204
    366.94   0.919    453
    359.99   0.901    719
    353.03   0.884    640

in CDCl3

liquid film

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2-羥基-2,3-二甲基戊醇95%(4911-70-0)質(zhì)譜(MS)