505-10-2

3-甲硫基丙醇(505-10-2)核磁圖(¹³CNMR)

產(chǎn)品名稱:3-甲硫基丙醇

CAS:505-10-2

分子式:C4H10OS

分子量: 106.19

InChI:InChI=1S/C4H10OS/c1-6-4-2-3-5/h5H,2-4H2,1H3

InChIKey: CZUGFKJYCPYHHV-UHFFFAOYSA-N

Smiles:C(O)CCSC

Mass

MS-NW-2958          
3-methylthio-1-propanol
C4H10OS             (Mass of molecular ion:    106)

   Source Temperature: 270 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       3.7
      18.0       2.1
      26.0       2.6
      27.0      19.6
      28.0       5.7
      29.0      10.4
      30.0      13.3
      31.0      44.5
      34.0       1.0
      35.0      12.7
      39.0       6.5
      40.0       4.2
      41.0      30.0
      42.0       2.3
      43.0       3.4
      44.0       1.8
      45.0      20.8
      46.0      14.6
      47.0      35.3
      48.0      33.0
      49.0      38.3
      50.0       1.9
      51.0       1.6
      55.0       1.4
      57.0      57.8
      58.0      68.9
      59.0      23.7
      60.0       4.6
      61.0      75.2
      62.0      10.4
      63.0       4.3
      72.0       1.3
      73.0      27.5
      74.0       1.8
      75.0      15.9
      76.0       1.8
      77.0       1.4
      87.0       1.2
      88.0       8.7
      91.0       1.1
      97.0       1.0
     106.0     100.0
     107.0       5.3
     108.0       4.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₄ H₁₀ O S	0.04 ml : 0.5 ml CDCl₃
3-methylthio-1-propanol

    Assign.     Shift(ppm)

      A             3.708
      B             3.05
      C             2.59
      D             2.110
      E             1.83

     Hz     ppm     Int.

    338.56   3.781    130
    332.38   3.712    275
    326.25   3.643    153
    272.88   3.047    414
    240.44   2.685     71
    239.75   2.677     68
    233.19   2.604    163
    233.06   2.603    163
    226.13   2.525    121
    189.00   2.111   1000
    178.06   1.989     37
    177.25   1.980     36
    171.38   1.914     87
    170.25   1.901     60
    165.13   1.844     90
    164.44   1.837    101
    157.88   1.763     69
    151.69   1.694     22
    150.75   1.684     21

in CDCl3