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1135-24-6

阿魏酸(1135-24-6)核磁图(1HNMR)

产品名称:阿魏酸

CAS:1135-24-6

分子式:C10H10O4

分子量: 194.18

InChI:InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)

InChIKey: KSEBMYQBYZTDHS-UHFFFAOYSA-N

Smiles:C(O)(=O)C=CC1=CC=C(O)C(OC)=C1

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    Mass

    MS-NW-2343          
    4-hydroxy-3-methoxycinnamic acid
    C10H10O4            (Mass of molecular ion:    194)
    

       Source Temperature: 200 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          15.0       1.9
          17.0       1.7
          18.0       8.5
          27.0       2.4
          28.0       2.9
          29.0       1.7
          38.0       1.9
          39.0       5.6
          41.0       3.0
          43.0       2.0
          44.0       2.2
          45.0       2.2
          50.0       4.4
          51.0      11.1
          52.0       5.2
          53.0       4.2
          55.0       6.4
          61.0       1.1
          62.0       2.6
          63.0       5.6
          64.0       1.1
          65.0       3.8
          66.0       1.6
          67.0       5.1
          69.0       4.5
          74.0       1.2
          75.0       1.0
          76.0       1.3
          77.0      12.6
          78.0       6.2
          79.0       3.3
          81.0       2.1
          83.0       1.1
          89.0       7.6
          90.0       1.0
          91.0       2.5
          93.0       1.2
          94.0       1.0
          95.0       6.5
         105.0       8.6
         106.0       2.6
         107.0       7.6
         108.0       1.2
         109.0       2.8
         117.0       4.8
         118.0       1.6
         119.0       1.0
         123.0       6.1
         133.0      19.3
         134.0       6.0
         135.0       3.2
         137.0       1.4
         145.0       5.3
         147.0       1.0
         148.0       4.3
         149.0       3.9
         150.0       3.0
         151.0       6.4
         161.0       4.3
         163.0       1.1
         177.0       8.4
         178.0       1.4
         179.0      19.7
         180.0       2.0
         193.0       5.6
         194.0     100.0
         195.0      11.2
         196.0       1.5
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C10 H10 O4 0.040 g : 0.5 ml DMSO-d6
    4-hydroxy-3-methoxycinnamic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.2 B 9.57 C 7.524 D 7.302 E 7.106 F 6.819 G 6.396 J 3.838

         Hz     ppm     Int.
    

       4860.14  12.161     25
       3826.35   9.575     77
       3015.29   7.545    159
       2999.35   7.505    172
       2919.49   7.306    170
       2917.48   7.301    174
       2845.31   7.120     88
       2843.48   7.115     85
       2837.07   7.099    100
       2835.23   7.095     95
       2729.18   6.829    217
       2721.12   6.809    205
       2563.78   6.416    221
       2548.03   6.376    202
       1534.02   3.839   1000
    

in DMSO-d6

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KBr disc

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nujol mull

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4880 A,200 M,powder

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