616-25-1

1-戊烯-3-醇(616-25-1)核磁圖(¹³CNMR)

產(chǎn)品名稱:1-戊烯-3-醇

CAS:616-25-1

分子式:C5H10O

分子量: 86.13

InChI:InChI=1S/C5H10O/c1-3-5(6)4-2/h3,5-6H,1,4H2,2H3

InChIKey: VHVMXWZXFBOANQ-UHFFFAOYSA-N

Smiles:C=CC(O)CC

Mass

MS-NW-5671          
1-penten-3-ol
C5H10O              (Mass of molecular ion:     86)

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

      15.0       1.0
      26.0       2.3
      27.0      10.9
      28.0       2.6
      29.0      20.0
      30.0       1.0
      31.0      10.4
      39.0       5.2
      40.0       1.6
      41.0       7.6
      42.0       1.0
      43.0       5.4
      44.0       2.5
      45.0       2.2
      53.0       2.8
      55.0       3.7
      57.0     100.0
      58.0       4.8
      59.0       3.6
      67.0       1.9
      68.0       1.9
      71.0       2.1
      85.0       1.3
      86.0       1.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₁₀ O	0.04 ml : 0.5 ml CDCl₃
1-penten-3-ol

    Assign.     Shift(ppm)

      A             5.837
      B             5.225
      C             5.107
      D             4.019
      E             2.02
      F             1.549
      G             0.928
     
     J(A,B)=17.3HZ, J(A,C)=10.1HZ, J(A,D)=6.0HZ, J(B,C)=1.9HZ,
     J(B,D)=J(B,C)=1.1HZ

     Hz     ppm     Int.

    542.69   6.060    117
    536.63   5.992    121
    532.63   5.948    145
    526.63   5.881    152
    525.44   5.867    204
    519.38   5.800    215
    515.31   5.754    260
    509.38   5.688    287
    476.19   5.317    223
    474.94   5.304    240
    474.19   5.295    352
    473.06   5.283    344
    463.31   5.174    285
    462.19   5.161    305
    461.31   5.151    212
    460.31   5.140    209
    458.94   5.125    175
    457.69   5.111    189
    456.94   5.103    160
    455.81   5.090    177
    453.25   5.061    187
    452.06   5.048    208
    451.31   5.040    187
    450.19   5.027    189
    370.56   4.138     37
    369.63   4.128     70
    368.38   4.114     46
    364.38   4.069     90
    363.31   4.057    178
    362.19   4.045    104
    358.13   3.999     87
    357.19   3.989    169
    356.00   3.975    101
    351.94   3.930     37
    350.88   3.918     65
    349.63   3.904     39
    181.25   2.024    877
    155.38   1.735     52
    153.94   1.719     64
    149.13   1.666     63
    148.75   1.661     68
    147.19   1.644    221
    146.56   1.637    195
    142.63   1.593     59
    140.88   1.574    267
    140.00   1.564    224
    139.44   1.557    368
    135.00   1.508     79
    134.25   1.499     86
    133.06   1.486    469
    132.06   1.475    146
    126.81   1.416    118
    125.75   1.405    122
     90.56   1.012    272
     89.75   1.003    573
     89.13   0.996    399
     82.81   0.925   1000
     82.13   0.918    595
     75.88   0.848    181
     75.13   0.839    337
     73.94   0.826    211

in CDCl3