6863-58-7

仲丁基醚(6863-58-7)紅外圖譜(IR2)

產(chǎn)品名稱:仲丁基醚

CAS:6863-58-7

分子式:C8H18O

分子量: 130.23

InChI:InChI=1S/C8H18O/c1-5-7(3)9-8(4)6-2/h7-8H,5-6H2,1-4H3

InChIKey: HHBZZTKMMLDNDN-UHFFFAOYSA-N

Smiles:O(C(CC)C)C(CC)C

Mass

MS-NW-2120          
di-sec-butyl ether
C8H18O              (Mass of molecular ion:    130)

   Source Temperature: 250 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       1.2
      27.0       8.0
      28.0       2.0
      29.0      23.8
      31.0       2.9
      39.0       5.2
      41.0      28.8
      42.0       1.7
      43.0       4.7
      44.0       1.3
      45.0     100.0
      46.0       2.2
      53.0       1.0
      55.0       8.3
      56.0       6.8
      57.0      84.5
      58.0       3.8
      59.0      29.5
      60.0       1.0
      73.0       5.4
      83.0       9.7
      97.0       1.1
     101.0      39.1
     102.0       2.6
     112.0       1.0
     115.0       1.0

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₁₈ O	0.05 ml : 0.5 ml CDCl₃
di-sec-butyl ether

    Assign.     Shift(ppm)

      A     *1      3.36
      B     *1      3.34
      C     *2      1.51
      D     *2      1.41
      E     *3      1.113
      F     *3      1.094
      G             0.90
     
     OPTICAL ISOMERS

     Hz     ppm     Int.

   1352.66   3.385     89
   1346.56   3.370    177
   1345.09   3.366     85
   1340.45   3.355    189
   1338.99   3.351    131
   1334.23   3.339    111
   1332.64   3.335    122
   1328.00   3.323     34
   1326.54   3.320     74
    623.05   1.559     57
    616.82   1.544     82
    615.60   1.541     62
    612.92   1.534     53
    610.60   1.528     52
    609.38   1.525    134
    608.15   1.522     42
    606.81   1.519     63
    606.20   1.517     70
    605.47   1.516     65
    603.15   1.510    103
    601.93   1.507    118
    599.24   1.500    125
    595.58   1.491     95
    594.48   1.488     53
    592.53   1.483    121
    591.80   1.481    114
    588.26   1.472     41
    585.08   1.464    109
    584.47   1.463     83
    581.42   1.455     37
    578.74   1.449     48
    576.90   1.444    100
    575.44   1.440     48
    573.85   1.436     94
    571.29   1.430    103
    569.46   1.425    111
    567.87   1.421    109
    566.41   1.418    101
    565.06   1.414     44
    563.84   1.411    116
    562.13   1.407     68
    560.55   1.403    125
    559.20   1.400     55
    557.62   1.396     55
    556.52   1.393     60
    555.79   1.391     62
    554.20   1.387     63
    553.22   1.385     73
    550.17   1.377     49
    546.88   1.369     57
    455.32   1.140     41
    448.00   1.121    957
    445.56   1.115     61
    441.89   1.106    986
    440.31   1.102    915
    434.20   1.087    898
    431.88   1.081     61
    379.15   0.949     46
    374.51   0.938     34
    373.29   0.935     46
    370.73   0.928    115
    368.41   0.922    640
    363.77   0.911    112
    361.21   0.904   1000
    360.60   0.903    916
    353.52   0.885    530

¹H NMR	89.56 MHz
C₈ H₁₈ O	0.04 ml : 0.5 ml CDCl₃
di-sec-butyl ether

    Assign.     Shift(ppm)

      A             3.35
      B             1.48
      C             1.10
      D             0.91
     
     OPTICALLY ACTIVE COMPOUND.

     Hz     ppm     Int.

    310.25   3.465     61
    308.63   3.447     59
    304.19   3.397    126
    302.56   3.379    118
    298.13   3.329    134
    296.44   3.310    122
    292.13   3.262     71
    290.38   3.243     65
    146.63   1.638     46
    145.69   1.627     51
    143.25   1.600     51
    142.13   1.587     34
    141.69   1.583     35
    139.94   1.563     83
    138.38   1.546     80
    137.13   1.532     92
    135.81   1.517    160
    133.88   1.495    104
    132.13   1.476    152
    130.50   1.458    143
    129.81   1.450    175
    128.81   1.439    183
    126.00   1.407     91
    124.25   1.388    155
    122.88   1.373    198
    119.00   1.329     51
    116.81   1.305    100
    115.25   1.287     35
    109.19   1.220     39
    104.25   1.165     43
    102.56   1.146   1000
    100.88   1.127    980
     98.50   1.100     67
     96.44   1.077    945
     94.81   1.059    919
     92.56   1.034     47
     91.25   1.019     36
     90.31   1.009     32
     88.25   0.986    306
     87.38   0.976    530
     86.63   0.968    350
     83.56   0.934     45
     80.50   0.899    857
     73.69   0.823    154
     72.88   0.814    260
     71.50   0.799    156

in CDCl3