3-氯-2-羥丙基三甲基氯化銨(3327-22-8)核磁圖(¹HNMR)

產(chǎn)品名稱:3-氯-2-羥丙基三甲基氯化銨

CAS:3327-22-8

分子式:C6H15Cl2NO

分子量: 188.1

InChI:InChI=1S/C6H15ClNO.ClH/c1-8(2,3)5-6(9)4-7;/h6,9H,4-5H2,1-3H3;1H/q+1;/p-1

InChIKey: CSPHGSFZFWKVDL-UHFFFAOYSA-M

Smiles:[N+](C)(CC(O)CCl)(C)C.[Cl-]

Mass

MS-IW-9165          
(3-chloro-2-hydroxypropyl)trimethylammonium chloride
C6H15Cl2NO          (Mass of molecular ion:    187)

   Source Temperature: 180 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      14.0       1.1
      15.0      12.1
      17.0       1.3
      18.0       7.4
      26.0       2.8
      27.0       5.8
      28.0       6.7
      29.0       5.2
      30.0      12.1
      35.0       5.2
      36.0      42.2
      37.0       2.1
      38.0      14.1
      39.0       2.5
      40.0       2.2
      41.0       3.8
      42.0      19.1
      43.0      26.4
      44.0      11.2
      45.0       3.8
      47.0       2.1
      48.0       1.1
      49.0       4.6
      50.0      33.4
      51.0       1.9
      52.0      11.0
      55.0       2.4
      56.0       4.0
      57.0       4.9
      58.0     100.0
      59.0      11.3
      70.0       1.4
      84.0       1.6
      88.0       6.2
      92.0       1.4
      94.0       1.1
     101.0       1.6

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₆ H₁₅ Cl₂ N O	0.05 ml : 0.5 ml DMSO-d₆
(3-chloro-2-hydroxypropyl)trimethylammonium chloride

    Assign.     Shift(ppm)

      A             4.412
      B             3.693
      C     *1      3.586
      D     *1      3.464
      E             3.235

     Hz     ppm     Int.

   1767.46   4.423     28
   1763.18   4.412     29
   1759.16   4.402     31
   1478.27   3.699    147
   1473.27   3.687    128
   1442.38   3.610     41
   1442.14   3.609     41
   1441.16   3.607     44
   1428.83   3.576     66
   1427.86   3.573     66
   1394.53   3.490     52
   1385.01   3.466     49
   1380.98   3.456     36
   1371.58   3.432     33
   1292.85   3.235   1000

in DMSO-d6