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90-64-2

扁桃酸(90-64-2)Raman光譜

產(chǎn)品名稱(chēng):扁桃酸

CAS:90-64-2

分子式:C8H8O3

分子量: 152.15

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

InChIKey: IWYDHOAUDWTVEP-UHFFFAOYSA-N

Smiles:C(C1C=CC=CC=1)(O)C(=O)O

  • 圖譜
    Mass 

    MS-NW-0328          
mandelic acid
C8H8O3              (Mass of molecular ion:    152)


       Source Temperature: 140 °C
   Sample Temperature: 110 °C
   Direct, 75 eV


          27.0       2.1
      29.0       2.7
      38.0       1.2
      39.0       3.5
      45.0       1.4
      50.0       4.3
      51.0      11.1
      52.0       2.5
      53.0       1.9
      62.0       1.0
      63.0       1.9
      74.0       1.2
      77.0      31.3
      78.0       5.0
      79.0      49.4
      80.0       3.4
      89.0       1.7
      90.0       3.2
     105.0       4.9
     106.0       1.3
     107.0     100.0
     108.0       8.4
     152.0      14.4
     153.0       1.3

90 MHz in DMSO-d6

  • 圖譜

    1H NMR 89.56 MHz
    C8 H8 O3 0.045 g : 0.5 ml DMSO-d6
    mandelic acid
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A          7.47 to 7.26
      B             6.
      C             5.042
     
     BASE LINE INCLUDES OH AND COOH SIGNALS.
  

         Hz     ppm     Int.


        672.66   7.511     75
    670.80   7.490    110
    668.95   7.470    182
    667.87   7.458    248
    666.99   7.448    236
    664.06   7.415    467
    662.21   7.395    987
    660.16   7.372    598
    658.98   7.358   1000
    658.30   7.351    755
    656.84   7.335    421
    655.47   7.319    296
    654.39   7.307    430
    653.42   7.296    417
    650.98   7.269    381
    649.61   7.254    100
    648.54   7.242     68
    648.14   7.237     67
    451.76   5.045    884
    449.12   5.015     47

in DMSO-d6

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

4880 A,200 M,powder

  • 圖譜

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