正丁基縮水甘油醚(2426-08-6)質(zhì)譜(MS)

產(chǎn)品名稱:正丁基縮水甘油醚

CAS:2426-08-6

分子式:C7H14O2

分子量: 130.18

InChI:InChI=1S/C7H14O2/c1-2-3-4-8-5-7-6-9-7/h7H,2-6H2,1H3

InChIKey: YSUQLAYJZDEMOT-UHFFFAOYSA-N

Smiles:O1CC1COCCCC

Mass

MS-NW-0961          
(butoxymethyl)oxirane
C7H14O2             (Mass of molecular ion:    130)

   Source Temperature: 280 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       6.2
      18.0       1.1
      19.0       1.6
      26.0       3.7
      27.0      35.1
      28.0      12.5
      29.0     100.0
      30.0       6.8
      31.0      79.9
      32.0       1.0
      39.0      12.5
      40.0       3.1
      41.0      65.0
      42.0       6.1
      43.0      21.6
      44.0      10.0
      45.0      21.1
      53.0       1.3
      55.0      54.1
      56.0      28.2
      57.0      89.5
      58.0      43.5
      59.0       3.5
      71.0       3.6
      72.0       1.3
      73.0      18.9
      74.0       1.2
      85.0       1.4
      87.0       4.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₁₄ O₂	0.04 ml : 0.5 ml CDCl₃
(butoxymethyl)oxirane

    Assign.     Shift(ppm)

      A     *1      3.685
      B             3.50
      C     *1      3.38
      D             3.13
      E             2.79
      F             2.606
      G             1.55
      J             1.37
      K             0.91

     Hz     ppm     Int.

    339.69   3.793    171
    336.63   3.759    205
    328.38   3.667    389
    325.31   3.633    469
    319.69   3.570    253
    318.94   3.562    258
    313.13   3.497    638
    310.63   3.469    399
    309.06   3.451     99
    306.56   3.423    444
    305.06   3.407    495
    303.31   3.387     79
    299.38   3.343    102
    293.75   3.280    263
    288.44   3.221    104
    285.63   3.190    164
    284.50   3.177    150
    282.81   3.158    172
    281.75   3.146    202
    280.06   3.128    124
    278.75   3.113    179
    277.25   3.096     95
    276.06   3.083    128
    273.19   3.051     78
    254.56   2.843    234
    249.50   2.786    445
    245.44   2.741    336
    236.50   2.641    390
    233.94   2.613    389
    231.44   2.585    242
    228.75   2.555    215
    147.88   1.652    128
    146.06   1.631    108
    145.50   1.625     98
    142.06   1.587    232
    141.69   1.583    231
    141.06   1.576    245
    140.50   1.569    236
    139.81   1.562    228
    138.13   1.543    228
    135.56   1.514    368
    134.31   1.500    330
    132.56   1.481    320
    131.38   1.467    275
    129.94   1.451    223
    129.00   1.441    250
    127.00   1.419    252
    125.56   1.402    217
    121.69   1.359    200
    118.69   1.326    195
    116.19   1.298    106
    115.63   1.292     98
    112.56   1.257    157
    106.31   1.188     69
     88.94   0.994    524
     85.13   0.951    113
     82.56   0.922   1000
     76.31   0.853    214
     75.00   0.838    222
     73.13   0.817    124

in CDCl3