5332-52-5

1-十一硫醇(5332-52-5)核磁图(¹³CNMR)

产品名称:1-十一硫醇

CAS:5332-52-5

分子式:C11H24S

分子量: 188.37

InChI:InChI=1S/C11H24S/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3

InChIKey: CCIDWXHLGNEQSL-UHFFFAOYSA-N

Smiles:C(S)CCCCCCCCCC

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-7202          
1-undecanethiol
C11H24S             (Mass of molecular ion:    188)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       1.2
      27.0      18.0
      28.0       4.6
      29.0      35.5
      34.0       1.7
      35.0       2.6
      39.0      14.2
      40.0       2.7
      41.0      80.1
      42.0      33.1
      43.0      90.2
      44.0       3.8
      45.0       4.9
      46.0       2.0
      47.0      24.0
      48.0       1.0
      49.0       1.1
      53.0       5.8
      54.0      10.7
      55.0     100.0
      56.0      94.5
      57.0      76.9
      58.0       3.4
      59.0       2.2
      60.0       5.5
      61.0      17.9
      62.0       1.3
      65.0       1.0
      66.0       1.4
      67.0      15.5
      68.0      38.9
      69.0      99.8
      70.0      97.7
      71.0      30.0
      72.0       1.5
      73.0       1.4
      75.0       1.2
      79.0       1.2
      81.0       5.0
      82.0      37.8
      83.0      94.5
      84.0      76.2
      85.0      17.1
      87.0       2.8
      88.0       3.7
      89.0      25.7
      90.0       1.5
      91.0       1.4
      95.0       1.2
      96.0      18.7
      97.0      75.5
      98.0      36.8
      99.0       3.8
     101.0       1.0
     103.0       3.1
     110.0       4.5
     111.0      30.4
     112.0      16.6
     113.0       1.7
     124.0       2.7
     125.0      17.4
     126.0      25.6
     127.0       2.6
     154.0      39.8
     155.0       4.9
     187.0       4.1
     188.0      48.5
     189.0       7.1
     190.0       2.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₁ H₂₄ S	0.05 ml : 0.5 ml CDCl₃
1-undecanethiol

    Assign.     Shift(ppm)

      A             2.514
      B             1.603
      C             1.37
      D             1.316
      E             1.26
      F             0.880

     Hz     ppm     Int.

   1016.36   2.544    113
   1008.91   2.525    247
   1001.59   2.507    257
    994.14   2.488    124
    655.88   1.642     42
    648.93   1.624    105
    641.48   1.606    160
    634.03   1.587    118
    626.59   1.568     62
    556.40   1.393     71
    549.19   1.375     89
    541.99   1.357     73
    537.72   1.346     51
    534.06   1.337    180
    526.25   1.317    325
    518.55   1.298    289
    505.86   1.266   1000
    358.89   0.899    179
    352.29   0.882    469
    345.21   0.864    209

in CDCl3