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552-86-3

糠偶姻(552-86-3)核磁图(1HNMR)

产品名称:糠偶姻

CAS:552-86-3

分子式:C10H8O4

分子量: 192.17

InChI:InChI=1S/C10H8O4/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6,9,11H

InChIKey: MIJRFWVFNKQQDK-UHFFFAOYSA-N

Smiles:C(=O)(C1=CC=CO1)C(C1=CC=CO1)O

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    Mass

    MS-NW-0508          
    2,2'-furoin
    C10H8O4             (Mass of molecular ion:    192)
    

       Source Temperature: 170 °C
       Sample Temperature: 140 °C
       Direct, 75 eV
    

          18.0       1.2
          27.0       1.5
          28.0       1.2
          29.0       4.8
          37.0       1.6
          38.0       4.6
          39.0      23.4
          40.0       2.4
          41.0      23.4
          42.0       1.2
          50.0       1.0
          51.0       3.0
          52.0       1.4
          67.0       1.7
          68.0       4.7
          69.0       8.2
          95.0      24.9
          96.0       2.8
          97.0     100.0
          98.0       5.8
         147.0       1.1
         163.0       2.3
         192.0       6.8
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C10 H8 O4 0.041 g : 0.5 ml DMSO-d6
    2,2'-furoin
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.008 B 7.611 C 7.543 D 6.703 E 6.445 F 6.428 G 6.2 J 5.825 J(A,D)=1.7HZ J(A,C)=0.7HZ J(C,D)=3.7HZ J(B,F)=1.8HZ J(B,E)=1.0HZ J(E,F)=3.3HZ J(E,J)=0.5HZ

         Hz     ppm     Int.
    

       3201.78   8.012    749
       3201.05   8.010    845
       3200.20   8.008    827
       3199.46   8.006    816
       3043.33   7.615    769
       3042.36   7.613    895
       3041.50   7.611    859
       3040.65   7.609    780
       3016.85   7.549    712
       3016.11   7.547    755
       3013.18   7.540    730
       3012.57   7.539    756
       2681.64   6.710    754
       2679.93   6.706    737
       2677.98   6.701    715
       2676.27   6.697    711
       2578.13   6.451    361
       2577.76   6.451    388
       2577.27   6.449    351
       2574.95   6.444    821
       2574.46   6.442    832
       2573.97   6.441    732
       2570.80   6.433    804
       2568.97   6.429    773
       2567.50   6.425    372
       2565.67   6.420    367
       2458.13   6.151     30
       2328.00   5.826   1000
    

in DMSO-d6

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KBr disc

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nujol mull

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