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24943-60-0

苯甲酰溴化膽堿(24943-60-0)紅外圖譜(IR1)

產(chǎn)品名稱(chēng):苯甲酰溴化膽堿

CAS:24943-60-0

分子式:C12H18BrNO2

分子量: 288.18

InChI:InChI=1S/C12H18NO2.BrH/c1-13(2,3)9-10-15-12(14)11-7-5-4-6-8-11;/h4-8H,9-10H2,1-3H3;1H/q+1;/p-1

InChIKey: UOWKZCQHFFILJX-UHFFFAOYSA-M

Smiles:C1(C=CC=CC=1)C(=O)OCC[N+](C)(C)C.[Br-]

90 MHz in DMSO-d6

  • 圖譜

    1H NMR 89.56 MHz
    C12 H18 Br N O2 0.042 g : 0.5 ml DMSO-d6
    benzoylcholine bromide
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             8.03
      B             7.68
      C             7.59
      D             4.76
      E             3.93
      F             3.284
  

         Hz     ppm     Int.


        724.44   8.089     66
    722.88   8.072     85
    721.25   8.054     32
    716.75   8.004     92
    714.75   7.981    115
    692.31   7.731     36
    691.50   7.722     40
    687.31   7.675     53
    685.44   7.654     93
    684.44   7.643    109
    683.88   7.637    121
    682.31   7.619     49
    679.56   7.588     36
    678.06   7.572     40
    676.56   7.555     84
    423.25   4.726     45
    356.13   3.977     61
    354.25   3.956     50
    351.44   3.925     54
    349.19   3.899     45
    347.06   3.876     49
    294.13   3.285   1000

in DMSO-d6

  • 圖譜

KBr disc

  • 圖譜

4880 A,200 M,powder

  • 圖譜

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