646-04-8

反-2-戊烯(646-04-8)紅外圖譜(IR1)

產(chǎn)品名稱:反-2-戊烯

CAS:646-04-8

分子式:C5H10

分子量: 70.13

InChI:InChI=1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3/b5-3+

InChIKey: QMMOXUPEWRXHJS-HWKANZROSA-N

Smiles:C/C=C/CC

Mass

MS-NW-4646          
trans-2-pentene
C5H10               (Mass of molecular ion:     70)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.2
      18.0       1.0
      26.0       2.0
      27.0      14.4
      28.0       1.6
      29.0      22.0
      37.0       1.2
      38.0       2.4
      39.0      22.8
      40.0       4.6
      41.0      27.8
      42.0      37.1
      43.0       2.0
      50.0       1.7
      51.0       2.1
      53.0       8.4
      54.0       3.2
      55.0     100.0
      56.0       4.8
      67.0       2.7
      69.0       3.0
      70.0      38.3
      71.0       2.5

90 MHz in CDCl3

400 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₁₀	0.04 ml : 0.5 ml CDCl₃
trans-2-pentene

    Assign.     Shift(ppm)

      A             5.47
      B             5.40
      C             1.97
      D             1.637
      E             0.960
     
     400MHZ : HSP-41-074

     Hz     ppm     Int.

    492.69   5.502     83
    491.63   5.490    159
    489.19   5.463    127
    487.94   5.449    374
    486.81   5.436    225
    484.38   5.409    282
    483.25   5.396    203
    482.13   5.384     43
    479.50   5.354     88
    478.69   5.345     34
    469.13   5.239     30
    191.44   2.138     34
    189.25   2.114     34
    186.63   2.084     36
    185.75   2.075     46
    184.50   2.061     79
    183.50   2.049    101
    181.88   2.031     85
    181.25   2.024     75
    179.56   2.005     81
    178.56   1.994     94
    176.94   1.976    100
    175.75   1.963    135
    174.75   1.952     99
    174.13   1.945     70
    173.44   1.937     65
    172.31   1.924    100
    170.88   1.908     79
    169.63   1.895     60
    168.69   1.884     55
    168.31   1.880     57
    167.06   1.866     32
    165.56   1.849     36
    164.31   1.835     32
    163.44   1.825     38
    163.00   1.821     36
    151.31   1.690     71
    150.38   1.680    315
    149.00   1.664    597
    147.63   1.649    477
    145.56   1.626    567
    144.25   1.611    602
    142.88   1.596    261
     92.81   1.037    489
     85.75   0.958   1000
     85.19   0.952    663
     78.06   0.872    341
     77.38   0.865    181

¹H NMR	399.65 MHz
C₅ H₁₀	0.05 ml : 0.5 ml CDCl₃
trans-2-pentene

    Assign.     Shift(ppm)

      A             5.45
      B             5.41
      C             1.985
      D             1.637
      E             0.958
     
     90MHZ : HSP-04-223
     ASSIGNED BY C-H COSY.

     Hz     ppm     Int.

   2198.85   5.502     33
   2192.99   5.488     58
   2192.02   5.485     47
   2187.26   5.473     31
   2185.06   5.468     34
   2183.72   5.465     82
   2182.50   5.462     86
   2178.96   5.453     78
   2177.73   5.450    185
   2176.88   5.447    220
   2173.95   5.440    124
   2172.85   5.437    136
   2172.00   5.435    176
   2169.07   5.428    271
   2168.21   5.426    121
   2164.18   5.416    128
   2163.33   5.414    185
   2162.23   5.411     97
   2158.57   5.402     48
   2157.35   5.399     63
   2156.13   5.396     34
   2153.81   5.390     55
   2153.08   5.388     38
   2148.93   5.378     34
   2148.19   5.376     65
   2147.09   5.373     40
    807.25   2.020     65
    805.91   2.017     45
    799.93   2.002    198
    798.46   1.998    132
    797.00   1.995     64
    796.39   1.993     68
    794.92   1.990    145
    793.58   1.986    176
    792.48   1.983    245
    790.89   1.979    153
    789.55   1.976     66
    788.94   1.975     68
    787.48   1.971    140
    786.13   1.968    137
    785.03   1.965    148
    783.57   1.961     81
    781.49   1.956     30
    780.03   1.952     53
    778.69   1.949     46
    777.83   1.947     36
    777.47   1.946     37
    659.30   1.650    293
    657.96   1.647    489
    656.62   1.643    513
    655.27   1.640    325
    653.20   1.635    317
    651.86   1.632    624
    650.51   1.628    444
    390.14   0.977    675
    387.57   0.970     31
    382.69   0.958   1000
    375.12   0.939    622

in CDCl3