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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