2-甲基-3-丁烯-2-醇(115-18-4)質(zhì)譜(MS)

產(chǎn)品名稱:2-甲基-3-丁烯-2-醇

CAS:115-18-4

分子式:C5H10O

分子量: 86.13

InChI:InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3

InChIKey: HNVRRHSXBLFLIG-UHFFFAOYSA-N

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

Mass

MS-NW-1103          
2-methyl-3-buten-2-ol
C5H10O              (Mass of molecular ion:     86)

   Source Temperature: 250 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       5.4
      18.0       1.6
      26.0       2.6
      27.0      16.0
      28.0       3.1
      29.0       3.0
      31.0      12.8
      38.0       1.6
      39.0      10.5
      40.0       2.2
      41.0      26.2
      42.0       2.4
      43.0      55.4
      44.0       1.9
      45.0       3.1
      50.0       1.5
      51.0       1.9
      53.0       8.2
      55.0       2.9
      58.0       5.7
      59.0      32.9
      60.0       1.1
      67.0       3.6
      68.0       1.9
      69.0       5.5
      71.0     100.0
      72.0       4.5
      73.0       1.1
      86.0       1.3

parameter in CDCl3

¹H NMR	300 MHz
C₅ H₁₀ O	9.8 mol% in CDCl₃
2-methyl-3-buten-2-ol

    Parameter     ppm  Hz

      D(A)         5.197
      D(B)         4.978
      D(C)         5.988
       J(A,B)          1.21
       J(A,C)         17.37
       J(B,C)         10.70
     
      D(D)         2.171
     
      D(E)         1.311

     Hz     ppm     Int.

   1810.83   6.036     37
   1800.14   6.000     40
   1793.50   5.978     43
   1782.85   5.943     46
   1568.10   5.227     48
   1566.91   5.223     50
   1550.71   5.169     42
   1549.52   5.165     42
   1499.27   4.998     48
   1498.08   4.994     46
   1488.58   4.962     44
   1487.39   4.958     43
    651.31   2.171    167
    393.30   1.311   1000

in CDCl3