590-36-3

2-甲基-2-戊醇(590-36-3)質(zhì)譜(MS)

產(chǎn)品名稱:2-甲基-2-戊醇

CAS:590-36-3

分子式:C6H14O

分子量: 102.17

InChI:InChI=1S/C6H14O/c1-4-5-6(2,3)7/h7H,4-5H2,1-3H3

InChIKey: WFRBDWRZVBPBDO-UHFFFAOYSA-N

Smiles:CC(C)(O)CCC

Mass

MS-IW-3853          
2-methyl-2-pentanol
C6H14O              (Mass of molecular ion:    102)

   Source Temperature: 200 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.8
      27.0       7.5
      28.0       1.3
      29.0       6.0
      31.0      17.6
      39.0       6.9
      40.0       1.0
      41.0      22.1
      42.0       2.2
      43.0      22.2
      45.0      48.5
      46.0       1.1
      53.0       1.1
      55.0       3.2
      56.0       2.7
      57.0       3.3
      58.0       3.7
      59.0     100.0
      60.0       5.4
      69.0      12.0
      71.0       1.1
      84.0       1.2
      85.0       2.8
      87.0      37.6
      88.0       2.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₁₄ O	0.05 ml : 0.5 ml CDCl₃
2-methyl-2-pentanol

    Assign.     Shift(ppm)

      A             2.04
      B             1.44
      C             1.38
      D             1.197
      E             0.926

     Hz     ppm     Int.

    813.48   2.036    122
    587.77   1.471     55
    585.33   1.465     63
    581.18   1.455    111
    577.27   1.445     88
    573.49   1.435    143
    570.80   1.429    184
    569.21   1.425    115
    567.50   1.420     89
    566.77   1.419     76
    565.80   1.416     55
    563.48   1.410     37
    562.87   1.409     33
    560.79   1.404    107
    559.08   1.399     86
    556.15   1.392     81
    555.54   1.391     90
    552.12   1.382     92
    548.95   1.374     88
    545.29   1.365     98
    541.87   1.356     95
    537.35   1.345     46
    535.28   1.340     45
    478.52   1.198   1000
    377.32   0.945    286
    374.51   0.938     37
    370.24   0.927    449
    364.99   0.914     95
    363.04   0.909    211
    359.74   0.901     42

in CDCl3