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

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17199-29-0

扁桃酸(17199-29-0)核磁圖(13CNMR)

產(chǎn)品名稱:扁桃酸

CAS:17199-29-0

分子式:C8H8O3

分子量: 152.15

InChI:InChI=1/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/s3

InChIKey: IWYDHOAUDWTVEP-KPOCXSGKNA-N

Smiles:[C@@H](C1C=CC=CC=1)(O)C(=O)O |&1:0,r|

  • 圖譜
    Mass 

    MS-NW-2168          
L-(+)-alpha-hydroxyphenylacetic acid
C8H8O3              (Mass of molecular ion:    152)


       Source Temperature: 200 °C
   Sample Temperature: 140 °C
   Direct, 75 eV


          17.0       1.0
      18.0       4.7
      27.0       4.1
      28.0       3.0
      29.0       5.4
      37.0       1.2
      38.0       2.0
      39.0       5.6
      44.0       4.1
      45.0       2.4
      50.0       7.0
      51.0      17.3
      52.0       4.3
      53.0       2.7
      62.0       1.4
      63.0       2.8
      74.0       1.7
      75.0       1.1
      76.0       1.2
      77.0      48.2
      78.0       8.5
      79.0      72.9
      80.0       4.9
      89.0       2.7
      90.0       4.9
      91.0       3.0
     105.0      17.6
     106.0       9.9
     107.0     100.0
     108.0       8.4
     118.0       1.1
     152.0       9.3

400 MHz in DMSO-d6

  • 圖譜

    1H NMR 399.65 MHz
    C8 H8 O3 0.040 g : 0.5 ml DMSO-d6
    L-(+)-alpha-hydroxyphenylacetic acid
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A            13.
      B             7.424
      B             7.340
      C             7.285
      D             5.038
  

         Hz     ppm     Int.


       2971.28   7.435    607
   2964.01   7.417    896
   2955.04   7.395     31
   2954.61   7.393     31
   2941.36   7.360    422
   2934.31   7.343    861
   2926.83   7.324    521
   2916.79   7.299    373
   2911.87   7.287    170
   2909.74   7.281    399
   2902.47   7.263    124
   2013.54   5.039   1000

in DMSO-d6

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

  • 圖譜

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