7370-92-5

四氫-6-辛基-2H-吡喃-2-酮(7370-92-5)核磁圖(¹³CNMR)

產(chǎn)品名稱:四氫-6-辛基-2H-吡喃-2-酮

CAS:7370-92-5

分子式:C13H24O2

分子量: 212.33

InChI:InChI=1S/C13H24O2/c1-2-3-4-5-6-7-9-12-10-8-11-13(14)15-12/h12H,2-11H2,1H3

InChIKey: RZZLMGATMUAJPX-UHFFFAOYSA-N

Smiles:C1(=O)OC(CCCCCCCC)CCC1

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-3655          
5-tridecanolide
C13H24O2            (Mass of molecular ion:    212)

   Source Temperature: 210 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      27.0       6.2
      28.0       1.1
      29.0       8.2
      39.0       4.7
      40.0       1.0
      41.0      21.3
      42.0      18.3
      43.0      21.4
      44.0       1.3
      53.0       1.7
      54.0       3.3
      55.0      27.4
      56.0      12.7
      57.0       9.9
      58.0       1.5
      60.0       1.9
      67.0       4.5
      68.0       6.8
      69.0      15.5
      70.0      29.1
      71.0      28.2
      72.0       1.6
      73.0       2.9
      81.0       4.3
      82.0       4.2
      83.0       8.5
      84.0       6.9
      85.0       1.6
      86.0       3.0
      87.0       1.2
      95.0       3.0
      96.0       5.9
      97.0       8.2
      98.0       8.2
      99.0     100.0
     100.0       9.6
     101.0       2.1
     109.0       1.6
     110.0       4.0
     111.0       3.6
     112.0       1.8
     113.0       2.0
     114.0      13.2
     115.0       2.8
     123.0       1.9
     124.0       1.9
     125.0       1.8
     127.0       1.4
     134.0       1.8
     137.0       1.7
     138.0       1.0
     141.0       3.1
     142.0       1.4
     150.0       4.9
     151.0       1.9
     152.0       3.1
     176.0       1.8
     194.0       3.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₂₄ O₂	0.05 ml : 0.5 ml CDCl₃
5-tridecanolide

    Assign.     Shift(ppm)

      A             4.282
      B             2.580
      C             2.450
      D             1.91
      E             1.85
      F     *1      1.69
      G     *1      1.57
      J     *2      1.51
      K     *2      1.38
      L             1.27
      M             0.880

     Hz     ppm     Int.

   1721.80   4.309     52
   1719.60   4.303     54
   1717.16   4.297     85
   1713.87   4.289     77
   1712.04   4.284     71
   1710.82   4.281     80
   1709.11   4.277     84
   1706.42   4.270     79
   1703.61   4.263     54
   1701.42   4.258     52
   1042.11   2.608     75
   1035.64   2.592     54
   1031.62   2.582     83
   1030.40   2.579     66
   1026.61   2.569     83
   1024.41   2.564    109
   1023.32   2.561    101
   1019.65   2.552     53
   1018.07   2.548     76
    992.31   2.483    111
    985.23   2.466    113
    983.64   2.462    143
    976.56   2.444    101
    974.73   2.439     75
    967.65   2.422     55
    965.94   2.417     87
    958.86   2.400     51
    775.63   1.941     99
    774.17   1.938     89
    772.46   1.933    103
    770.87   1.929    141
    769.17   1.925    117
    765.50   1.916    152
    764.40   1.913    114
    761.96   1.907    143
    760.13   1.902    173
    758.67   1.899    157
    757.93   1.897    144
    756.59   1.894    165
    753.54   1.886    140
    751.95   1.882     73
    748.90   1.874    108
    744.87   1.864     67
    743.65   1.861     65
    742.55   1.859     72
    740.60   1.854     47
    738.65   1.849     55
    737.92   1.847     51
    736.94   1.844     58
    735.60   1.841     66
    734.13   1.837     67
    731.81   1.832     49
    726.93   1.819     54
    687.38   1.720     58
    686.04   1.717     63
    684.69   1.714     64
    681.27   1.705     83
    678.71   1.699     67
    677.25   1.695     79
    676.27   1.693     73
    673.95   1.687     79
    671.39   1.680     72
    668.95   1.674     62
    664.31   1.663     58
    647.09   1.620     55
    641.97   1.607     94
    636.84   1.594    134
    631.71   1.581    191
    628.30   1.573    115
    626.46   1.568    150
    623.54   1.561    147
    620.61   1.553    109
    618.29   1.548    168
    616.58   1.543    135
    613.89   1.537    160
    609.62   1.526    114
    608.64   1.523    126
    605.83   1.516    173
    603.15   1.510    137
    599.85   1.501    101
    598.14   1.497    111
    595.09   1.490    115
    593.26   1.485     86
    590.94   1.479     81
    589.23   1.475     68
    587.89   1.472     66
    586.06   1.467     59
    583.01   1.459     49
    559.08   1.399     52
    557.25   1.395     46
    554.20   1.387     65
    549.19   1.375     67
    546.88   1.369     60
    543.58   1.361     73
    511.47   1.280    906
    358.76   0.898    346
    352.05   0.881   1000
    344.97   0.864    399

in CDCl3