54016-70-5

3-乙基-5-(2-羟乙基)-4-甲基噻唑溴化物(54016-70-5)质谱(MS)

产品名称:3-乙基-5-(2-羟乙基)-4-甲基噻唑溴化物

CAS:54016-70-5

分子式:C8H14BrNOS

分子量: 252.17

InChI:InChI=1S/C8H14NOS.BrH/c1-3-9-6-11-8(4-5-10)7(9)2;/h6,10H,3-5H2,1-2H3;1H/q+1;/p-1

InChIKey: BDQRQMLWZJQQKS-UHFFFAOYSA-M

Smiles:S1C(CCO)=C(C)[N+](CC)=C1.[Br-]

¹HNMR

¹³CNMR

Mass

MS-KW-0425          
3-ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide 
C8H14BrNOS          (Mass of molecular ion:    235)

   Source Temperature: 190 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      17.0       1.5
      18.0       7.5
      26.0       5.0
      27.0      18.5
      28.0       7.3
      29.0      18.2
      31.0       5.0
      39.0       5.1
      40.0       1.0
      41.0       4.5
      42.0       1.9
      43.0       1.4
      45.0      21.1
      47.0       1.5
      50.0       1.1
      51.0       2.6
      52.0       1.8
      53.0       4.9
      54.0       1.7
      55.0       2.5
      58.0       7.3
      59.0       6.3
      65.0       1.3
      68.0       2.7
      69.0       3.4
      70.0       1.8
      71.0       6.6
      72.0       4.6
      79.0       2.1
      80.0       5.0
      81.0       2.2
      82.0       4.6
      83.0       1.0
      84.0       1.6
      85.0      28.4
      86.0       4.8
      87.0       1.8
      93.0       1.4
      95.0       1.2
      97.0       6.5
      98.0       5.0
      99.0       2.0
     100.0       1.6
     108.0      31.6
     109.0       1.0
     110.0      30.8
     111.0       1.6
     112.0     100.0
     113.0      39.7
     114.0       7.1
     115.0       1.9
     124.0       2.6
     125.0      13.6
     126.0       1.4
     127.0       1.3
     143.0      35.3
     144.0       3.1
     145.0       1.8

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₈H₁₄BrNOS	0.039 g : 0.5 ml DMSO-d₆
3-ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide

    Assign.     Shift(ppm)

     A          10.177
     B           4.524
     C           3.646
     D           3.058
     E           2.499
     F           1.469

     Hz     ppm     Int.

   4068.46  10.177    373
   1819.01   4.550     73
   1812.14   4.533    224
   1811.68   4.532    222
   1804.81   4.515    227
   1804.51   4.514    224
   1797.49   4.497     76
   1463.17   3.660    164
   1457.52   3.646    285
   1451.73   3.632    180
   1227.88   3.072    133
   1222.23   3.058    230
   1216.59   3.044    120
    998.69   2.499   1000
    594.18   1.487    331
    587.01   1.469    735
    579.69   1.450    325

in DMSO-d6