3-甲基-1-戊炔-3-醇(77-75-8)紅外圖譜(IR2)

產(chǎn)品名稱:3-甲基-1-戊炔-3-醇

CAS:77-75-8

分子式:C6H10O

分子量: 98.14

InChI:InChI=1S/C6H10O/c1-4-6(3,7)5-2/h1,7H,5H2,2-3H3

InChIKey: QXLPXWSKPNOQLE-UHFFFAOYSA-N

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

Mass

MS-NW-1325          
3-methyl-1-pentyn-3-ol
C6H10O              (Mass of molecular ion:     98)

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

      15.0       2.7
      26.0       1.9
      27.0       8.9
      28.0       1.7
      29.0       8.7
      38.0       1.4
      39.0       9.6
      40.0       1.5
      41.0       5.0
      42.0       1.0
      43.0      40.3
      44.0       1.1
      50.0       2.5
      51.0       3.9
      52.0       1.4
      53.0       4.9
      55.0       9.3
      65.0       1.3
      68.0       1.9
      69.0     100.0
      70.0       4.6
      77.0       1.1
      79.0       3.3
      83.0      25.4
      84.0       1.5
      97.0       1.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₀ O	0.04 ml : 0.5 ml CDCl₃
3-methyl-1-pentyn-3-ol

    Assign.     Shift(ppm)

      A             2.436
      B             2.23
      C             1.70
      D             1.486
      E             1.05

     Hz     ppm     Int.

    218.19   2.437    422
    199.75   2.231    163
    157.00   1.754     93
    156.19   1.744     85
    150.88   1.685     43
    150.25   1.678     48
    149.19   1.666    183
    142.75   1.594     57
    142.00   1.586     55
    133.13   1.487   1000
    131.19   1.465     42
    101.38   1.132     86
    100.63   1.124    160
    100.00   1.117    110
     93.75   1.047    341
     93.00   1.039    178
     86.81   0.970     57
     85.94   0.960     97
     84.88   0.948     53

in CDCl3