1HNMR)的核磁圖,紅外圖譜,Raman光譜,質(zhì)譜等圖譜" /> 1HNMR)" />

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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>1866-16-6更多圖譜> (丙基碳?；蛞一?三甲基碘化銨(1866-16-6)核磁圖(1HNMR)

1866-16-6

(丙基碳?；蛞一?三甲基碘化銨(1866-16-6)核磁圖(1HNMR)

分子式:C9H20INOS

分子量: 317.23

InChI:InChI=1S/C9H20NOS.HI/c1-5-6-9(11)12-8-7-10(2,3)4;/h5-8H2,1-4H3;1H/q+1;/p-1

InChIKey: WEQAAFZDJROSBF-UHFFFAOYSA-M

Smiles:C(CSC(=O)CCC)[N+](C)(C)C.[I-]

  • 圖譜
    Mass 

    MS-NW-7439          
S-butyrylthiocholine iodide
C9H20INOS           (Mass of molecular ion:    317)


       Source Temperature: 200 °C
   Sample Temperature: 160 °C
   Direct, 75 eV


          15.0       2.4
      18.0       2.5
      27.0       2.5
      30.0       1.6
      41.0       2.6
      42.0       5.3
      43.0       5.8
      44.0       3.0
      56.0       1.8
      57.0       1.7
      58.0     100.0
      59.0       3.9
      70.0       1.0
      71.0       7.3
      72.0       2.6
     104.0       1.0
     127.0       6.4
     141.0       3.0
     142.0      20.8

400 MHz in DMSO-d6

  • 圖譜

    1H NMR 399.65 MHz
    C9 H20 I N O S 0.041 g : 0.5 ml DMSO-d6
    S-butyrylthiocholine iodide
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             3.436
      B             3.256
      C             3.162
      D             2.639
      E             1.608
      F             0.904
  

         Hz     ppm     Int.


       1382.20   3.459     39
   1376.59   3.445     39
   1375.00   3.441     45
   1374.02   3.439     44
   1370.48   3.430     39
   1365.84   3.418     70
   1312.38   3.284     67
   1307.74   3.273     37
   1303.71   3.263     44
   1303.34   3.262     44
   1301.64   3.257     37
   1296.02   3.243     38
   1263.92   3.163   1000
   1062.13   2.658     96
   1054.93   2.640    193
   1047.73   2.622    103
    653.69   1.636     57
    646.36   1.618    115
    639.04   1.599    113
    631.71   1.581     59
    368.53   0.923    179
    361.21   0.904    361
    353.76   0.886    161

in DMSO-d6

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

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