22072-19-1

四氢噻喃-3-醇(22072-19-1)红外图谱(IR1)

产品名称:四氢噻喃-3-醇

CAS:22072-19-1

分子式:C5H10OS

分子量: 118.2

InChI:InChI=1S/C5H10OS/c6-5-2-1-3-7-4-5/h5-6H,1-4H2

InChIKey: ZHHOMIAGFRSWCU-UHFFFAOYSA-N

Smiles:C1SCCCC1O

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-6406          
tetrahydrothiopyran-3-ol
C5H10OS             (Mass of molecular ion:    118)

   Source Temperature: 270 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      14.0       1.0
      15.0       6.0
      17.0       2.5
      18.0      10.7
      26.0       3.5
      27.0      26.8
      28.0       6.3
      29.0       9.3
      31.0       8.7
      32.0       1.3
      34.0       1.5
      35.0       3.1
      37.0       1.4
      38.0       2.7
      39.0      23.9
      40.0       3.6
      41.0      44.8
      42.0      10.6
      43.0      33.1
      44.0      43.5
      45.0      30.8
      46.0      43.6
      47.0      39.0
      48.0      28.3
      49.0      18.6
      50.0       2.3
      51.0       1.9
      53.0       8.0
      54.0       6.8
      55.0       9.7
      56.0       2.6
      57.0      20.9
      58.0      25.2
      59.0      17.5
      60.0      11.8
      61.0      77.5
      62.0      24.1
      63.0       5.7
      64.0       1.2
      65.0       4.9
      66.0       8.8
      67.0      22.2
      68.0       2.2
      69.0       4.5
      70.0       6.0
      71.0      29.9
      72.0       6.4
      73.0       3.5
      74.0      34.2
      75.0       8.0
      76.0       3.7
      77.0       2.9
      83.0       1.7
      84.0       2.1
      85.0      29.5
      86.0       2.0
      87.0      16.2
      88.0       1.6
      89.0       6.4
      90.0      10.5
      99.0       7.7
     100.0      24.3
     101.0      18.3
     102.0       2.4
     103.0       2.5
     116.0       2.3
     117.0       1.5
     118.0     100.0
     119.0       6.8
     120.0       4.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₅ H₁₀ O S	0.04 ml : 0.5 ml CDCl₃
tetrahydrothiopyran-3-ol

    Assign.     Shift(ppm)

      A             3.851
      B             3.1
      C             2.773
      D             2.54
      E     *1      2.48
      F     *1      2.45
      G             2.083
      J             1.872
      K             1.776
      L             1.456
     
     ASSIGNED BY C-H COSY

     Hz     ppm     Int.

   1550.66   3.881    179
   1547.36   3.872    317
   1544.07   3.864    220
   1542.11   3.859    343
   1538.82   3.851    566
   1535.52   3.843    324
   1533.69   3.838    202
   1530.27   3.830    297
   1526.98   3.821    156
   1243.65   3.112     90
   1118.16   2.798    275
   1116.94   2.795    403
   1115.60   2.792    384
   1113.89   2.788    397
   1112.55   2.784    277
   1105.22   2.766    338
   1104.00   2.763    492
   1102.54   2.759    458
   1100.83   2.755    467
   1099.61   2.752    319
   1022.58   2.559    734
   1014.16   2.538    718
   1009.64   2.527    582
   1001.10   2.505    587
    997.19   2.496    198
    993.53   2.486    443
    987.67   2.472   1000
    984.01   2.463    923
    979.25   2.451    490
    978.88   2.450    485
    975.95   2.443    534
    975.59   2.442    535
    971.07   2.430    110
    965.82   2.417    145
    965.45   2.416    145
    962.16   2.408    129
    850.95   2.130    117
    847.78   2.122    194
    844.48   2.114    238
    840.82   2.104    264
    837.77   2.097    297
    834.11   2.088    326
    830.93   2.080    306
    827.76   2.072    248
    826.78   2.069    295
    824.46   2.063    229
    823.24   2.060    178
    820.80   2.054    232
    817.26   2.045    125
    763.06   1.910    131
    761.84   1.907    150
    759.64   1.901    216
    758.42   1.898    219
    756.23   1.893    204
    754.76   1.889    204
    752.56   1.884    197
    750.85   1.879    217
    749.76   1.877    222
    748.78   1.874    227
    748.17   1.873    229
    746.58   1.869    256
    745.24   1.865    249
    743.04   1.860    217
    741.70   1.856    215
    739.62   1.851    213
    738.28   1.848    213
    736.57   1.844    150
    735.96   1.842    145
    735.11   1.840    142
    728.39   1.823    222
    724.37   1.813    203
    720.09   1.802    218
    718.87   1.799    237
    714.72   1.789    362
    712.28   1.783    186
    711.06   1.780    342
    710.33   1.778    253
    706.91   1.769    235
    705.93   1.767    336
    704.96   1.764    223
    702.39   1.758    305
    701.42   1.756    251
    698.61   1.749    133
    697.51   1.746    160
    696.04   1.742    154
    692.26   1.733    185
    688.72   1.724    122
    597.78   1.496    206
    594.12   1.487    206
    588.99   1.474    240
    588.01   1.472    237
    584.59   1.463    378
    581.05   1.454    205
    579.22   1.450    197
    575.81   1.441    339
    572.27   1.432    214
    566.04   1.417    143
    562.62   1.408    127

in CDCl3