13CNMR)的核磁圖,紅外圖譜,Raman光譜,質(zhì)譜等圖譜" /> 13CNMR)" />

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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>40187-51-7更多圖譜> 5-乙?；畻铛０?40187-51-7)核磁圖(13CNMR)

40187-51-7

5-乙酰基水楊酰胺(40187-51-7)核磁圖(13CNMR)

分子式:C9H9NO3

分子量: 179.17

InChI:InChI=1S/C9H9NO3/c1-5(11)6-2-3-8(12)7(4-6)9(10)13/h2-4,12H,1H3,(H2,10,13)

InChIKey: LWAQTCWTCCNHJR-UHFFFAOYSA-N

Smiles:C(N)(=O)C1=CC(C(C)=O)=CC=C1O

  • 圖譜
    Mass 

    MS-IW-2155          
5-acetylsalicylamide
C9H9NO3             (Mass of molecular ion:    179)


       Source Temperature: 120 °C
   Sample Temperature:  80 °C
   Direct, 75 eV


          28.0       1.2
      38.0       1.1
      39.0       2.7
      43.0       7.0
      44.0       2.6
      50.0       1.0
      51.0       2.1
      52.0       1.0
      53.0       3.4
      62.0       2.2
      63.0       5.7
      64.0       1.7
      65.0       1.6
      74.0       2.0
      75.5       1.6
      77.0       2.6
      79.0       6.4
      90.0       1.1
      91.0       5.5
      92.0       2.6
     118.0       1.0
     119.0       6.0
     120.0       2.4
     133.0       1.1
     146.0       2.3
     147.0     100.0
     148.0       9.1
     149.0       1.0
     162.0      38.2
     163.0       6.0
     164.0      13.2
     165.0       1.2
     179.0      64.6
     180.0       6.7

400 MHz in DMSO-d6

  • 圖譜

    1H NMR 399.65 MHz
    C9 H9 N O3 0.055 g : 0.5 ml DMSO-d6
    5-acetylsalicylamide
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A            13.9
      B     *1      8.77
      C             8.565
      D     *1      8.14
      E             8.018
      F             7.008
      G             2.579
  

         Hz     ppm     Int.


       5542.11  13.868     21
   3506.13   8.774     60
   3424.29   8.569    193
   3421.94   8.563    190
   3253.55   8.142     62
   3210.18   8.033    120
   3208.04   8.028    113
   3201.41   8.011    121
   3199.28   8.006    116
   2805.46   7.020    219
   2796.70   6.998    213
   1031.03   2.580   1000

in DMSO-d6

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

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