1471-03-0

烯丙基正丙酯(1471-03-0)核磁圖(¹³CNMR)

產(chǎn)品名稱:烯丙基正丙酯

CAS:1471-03-0

分子式:C6H12O

分子量: 100.16

InChI:InChI=1S/C6H12O/c1-3-5-7-6-4-2/h3H,1,4-6H2,2H3

InChIKey: LWJHSQQHGRQCKO-UHFFFAOYSA-N

Smiles:C=CCOCCC

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-9134          
3-propoxypropene
C6H12O              (Mass of molecular ion:    100)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.1
      26.0       1.5
      27.0      13.6
      28.0       4.4
      29.0       8.0
      30.0       3.7
      31.0      10.5
      38.0       1.3
      39.0      17.1
      40.0       3.6
      41.0     100.0
      42.0      14.3
      43.0      37.1
      44.0       1.5
      55.0       4.1
      56.0       1.2
      57.0      26.6
      58.0      72.7
      59.0       6.5
      71.0       6.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₁₂ O	0.05 ml : 0.5 ml CDCl₃
3-propoxypropene

    Assign.     Shift(ppm)

      A             5.916
      B             5.269
      C             5.159
      D             3.965
      E             3.389
      F             1.606
      G             0.930

     Hz     ppm     Int.

   2384.40   5.967     62
   2378.91   5.953    122
   2374.02   5.941     83
   2373.29   5.939     77
   2368.41   5.927    138
   2367.19   5.924     83
   2362.79   5.913     83
   2361.57   5.910    145
   2356.81   5.898     91
   2356.08   5.896     87
   2351.20   5.884    147
   2345.58   5.870     75
   2116.46   5.296     87
   2114.87   5.292    205
   2113.16   5.288    208
   2111.45   5.284     89
   2099.24   5.253     77
   2097.66   5.249    181
   2095.95   5.245    183
   2094.24   5.241     78
   2069.09   5.178     96
   2067.87   5.175    180
   2066.04   5.170    169
   2064.70   5.167     94
   2058.72   5.152     87
   2057.37   5.148    167
   2055.66   5.144    156
   2054.32   5.141     82
   1588.87   3.976    311
   1587.52   3.973    444
   1586.06   3.969    296
   1583.25   3.962    294
   1581.91   3.959    431
   1580.32   3.955    289
   1361.33   3.407    426
   1354.61   3.390    733
   1347.90   3.373    434
    661.38   1.655     60
    653.93   1.637    195
    647.22   1.620    358
    639.77   1.601    375
    632.93   1.584    218
    625.61   1.566     88
    379.27   0.950    635
    376.22   0.942     55
    371.83   0.931   1000
    367.31   0.920     49
    367.07   0.919     49
    364.38   0.912    572

in CDCl3