乙烯基正丁醚(111-34-2)質(zhì)譜(MS)

產(chǎn)品名稱(chēng):乙烯基正丁醚

CAS:111-34-2

分子式:C6H12O

分子量: 100.16

InChI:InChI=1S/C6H12O/c1-3-5-6-7-4-2/h4H,2-3,5-6H2,1H3

InChIKey: UZKWTJUDCOPSNM-UHFFFAOYSA-N

Smiles:C(OC=C)CCC

Mass

MS-NW-1216          
butyl vinyl ether
C6H12O              (Mass of molecular ion:    100)

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

      14.0       1.3
      15.0       5.9
      18.0       1.1
      26.0       3.5
      27.0      31.4
      28.0       7.9
      29.0     100.0
      30.0       2.1
      31.0      15.6
      39.0      13.7
      40.0       2.3
      41.0      99.1
      42.0       4.8
      43.0      11.5
      44.0      33.5
      45.0      11.7
      53.0       1.9
      55.0      11.4
      56.0      83.0
      57.0      62.6
      58.0       2.9
      59.0       5.4
      85.0      27.6
      86.0       1.6
     100.0      14.5
     101.0       1.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₂ O	0.04 ml : 0.5 ml CDCl₃
butyl vinyl ether

    Assign.     Shift(ppm)

      A             6.459
      B             4.169
      C             3.964
      D             3.675
      E             1.61
      F             1.39
      G             0.94

     Hz     ppm     Int.

    589.63   6.584    209
    582.81   6.508    223
    575.31   6.424    236
    568.50   6.348    253
    381.13   4.256    305
    379.31   4.236    351
    366.88   4.097    249
    365.00   4.076    330
    359.19   4.011    397
    357.31   3.990    361
    352.31   3.934    398
    350.50   3.914    313
    335.94   3.752    260
    329.69   3.682    642
    326.13   3.642     33
    323.38   3.611    357
    160.69   1.795     44
    155.81   1.740     63
    154.25   1.723    110
    152.13   1.699     92
    150.63   1.682     65
    147.63   1.649    204
    146.69   1.638    155
    145.75   1.628    169
    141.75   1.583    261
    140.19   1.566    199
    139.25   1.555    189
    136.06   1.520    261
    134.75   1.505    174
    131.81   1.472    135
    130.06   1.453    193
    128.38   1.434    197
    126.06   1.408     72
    124.56   1.391    169
    121.50   1.357    176
    119.56   1.335     93
    118.19   1.320     89
    115.00   1.285    151
    114.13   1.275    101
    109.31   1.221     51
    108.56   1.213     69
    107.25   1.198     75
     91.63   1.024    241
     90.75   1.014    443
     89.88   1.004    404
     86.81   0.970     74
     86.06   0.961     66
     84.06   0.939   1000
     82.63   0.923    343
     77.94   0.871    168
     76.56   0.855    208
     74.75   0.835    112

in CDCl3