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

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62-13-5

鹽酸腎上腺酮(62-13-5)核磁圖(1HNMR)

產(chǎn)品名稱:鹽酸腎上腺酮

CAS:62-13-5

分子式:C9H12ClNO3

分子量: 217.65

InChI:InChI=1S/C9H11NO3.ClH/c1-10-5-9(13)6-2-3-7(11)8(12)4-6;/h2-4,10-12H,5H2,1H3;1H

InChIKey: CSRRBDMYOUQTCO-UHFFFAOYSA-N

Smiles:C1(C(=O)CNC)=CC=C(O)C(O)=C1.Cl

  • 圖譜
    Mass 

    MS-IW-4078          
3',4'-dihydroxy-2-(methylamino)acetophenone hydrochloride
C9H11NO3 HCl        (Mass of molecular ion:    181)


       Source Temperature: 150 °C
   Sample Temperature: 100 °C
   Direct, 75 eV


          17.0       1.6
      18.0       9.3
      27.0       1.9
      28.0       3.9
      30.0       1.2
      35.0       3.1
      36.0      40.2
      37.0       1.0
      38.0      13.1
      39.0       1.1
      42.0       4.8
      43.0       2.7
      44.0     100.0
      45.0       4.4
      51.0       2.0
      52.0       1.2
      53.0       2.2
      55.0       2.0
      63.0       1.7
      81.0       3.1
     109.0       5.7
     110.0       2.2
     123.0       1.6
     137.0      12.2
     138.0       1.2
     152.0      27.6
     153.0       2.4
     181.0       4.3

400 MHz in DMSO-d6

  • 圖譜

    1H NMR 399.65 MHz
    C9 H11 N O3 0.038 g : 0.5 ml DMSO-d6
    3',4'-dihydroxy-2-(methylamino)acetophenone hydrochloride
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A     *1     10.
      B     *1      9.7
      C             9.2
      D             7.421
      E             7.385
      F             6.964
      G             4.607
      J             2.619
  

         Hz     ppm     Int.


       3670.66   9.185     23
   2967.11   7.425    233
   2964.92   7.419    297
   2956.86   7.399    148
   2954.66   7.394    100
   2948.61   7.378    148
   2946.42   7.373    121
   2787.24   6.975    262
   2779.00   6.954    250
   1841.56   4.608    459
   1047.16   2.621   1000
   1035.44   2.591     21

in DMSO-d6

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

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