1942-52-5

2-二乙氨基乙硫醇盐酸盐(1942-52-5)核磁图(¹HNMR)

产品名称:2-二乙氨基乙硫醇盐酸盐

CAS:1942-52-5

分子式:C6H16ClNS

分子量: 169.72

InChI:InChI=1S/C6H15NS.ClH/c1-3-7(4-2)5-6-8;/h8H,3-6H2,1-2H3;1H

InChIKey: QAXLTZBBDSDRPW-UHFFFAOYSA-N

Smiles:C(S)CN(CC)CC.[H]Cl

Mass

MS-NW-6476          
2-(diethylamino)ethanethiol hydrochloride
C6H15NS HCl         (Mass of molecular ion:    133)

   Source Temperature: 200 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      15.0       1.0
      18.0       1.0
      27.0       4.8
      28.0       4.8
      29.0       5.8
      30.0      17.8
      35.0       1.5
      36.0      15.1
      38.0       4.8
      41.0       1.1
      42.0       4.9
      44.0       6.5
      56.0       3.9
      57.0       1.2
      58.0      25.3
      59.0       1.1
      61.0       5.7
      70.0       1.0
      72.0       4.4
      86.0     100.0
      87.0       6.0
     100.0       4.4
     133.0       2.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₅ N S	0.041 g : 0.5 ml CDCl₃
2-(diethylamino)ethanethiol hydrochloride

    Assign.     Shift(ppm)

      A            12.
      B          3.57 to 2.76
      C             2.37
      D             1.444

     Hz     ppm     Int.

    306.68   3.425     34
    306.25   3.420     33
    304.20   3.397     51
    301.89   3.371     77
    300.95   3.361     80
    299.33   3.343     89
    297.11   3.318    113
    294.37   3.287    254
    289.59   3.234    287
    286.77   3.202    307
    282.32   3.153    273
    279.68   3.123    154
    276.51   3.088    115
    274.80   3.069    159
    271.39   3.031     76
    268.23   2.995     57
    266.26   2.973     61
    261.13   2.916     34
    260.79   2.912     34
    218.58   2.441     51
    210.55   2.351     69
    136.29   1.522    494
    129.03   1.441   1000
    121.68   1.359    405

in CDCl3

KBr disc

nujol mull

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2-二乙氨基乙硫醇盐酸盐(1942-52-5)核磁图(1HNMR)

2-二乙氨基乙硫醇盐酸盐(1942-52-5)核磁图(¹HNMR)