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498-62-4

3-噻吩甲醛(498-62-4)红外图谱(IR1)

产品名称:3-噻吩甲醛

CAS:498-62-4

分子式:C5H4OS

分子量: 112.15

InChI:InChI=1S/C5H4OS/c6-3-5-1-2-7-4-5/h1-4H

InChIKey: RBIGKSZIQCTIJF-UHFFFAOYSA-N

Smiles:C1SC=CC=1C=O

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    Mass

    MS-NW-4642          
    3-thiophenecarbaldehyde
    C5H4OS              (Mass of molecular ion:    112)
    

       Source Temperature: 250 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          26.0       1.3
          28.0       1.6
          29.0       5.4
          37.0       4.2
          38.0       6.5
          39.0      37.5
          40.0       1.7
          42.0       1.5
          44.0       1.4
          45.0      23.0
          47.0       1.1
          49.0       1.9
          50.0       5.3
          51.0       3.5
          53.0       1.2
          56.0       1.1
          57.0       8.2
          58.0      10.2
          69.0       2.9
          81.0       4.5
          82.0       5.5
          83.0      29.8
          84.0       3.7
          85.0       1.8
         111.0     100.0
         112.0      95.0
         113.0      10.6
         114.0       4.7
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C5 H4 O S 0.04 ml : 0.5 ml CDCl3
    3-thiophenecarbaldehyde
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.922 B 8.125 C 7.526 D 7.371 J(B,C)=1.2HZ. J(B,D)=2.8HZ. J(C,D)=5.1HZ. J(A,D)=0.8HZ. J(A,C)=0.4HZ.

         Hz     ppm     Int.
    

        889.01   9.927    941
        888.50   9.921   1000
        729.93   8.151    631
        728.61   8.136    692
        727.08   8.119    713
        725.83   8.105    763
        724.07   8.085     58
        723.05   8.074     36
        678.08   7.572    294
        677.12   7.561    310
        676.83   7.558    313
        675.51   7.543     47
        672.95   7.514    624
        672.00   7.504    576
        671.70   7.501    592
        669.21   7.473     39
        667.75   7.456     30
        663.87   7.413    483
        663.06   7.404    501
        661.01   7.381    452
        660.21   7.372    464
        658.74   7.356    278
        657.93   7.347    285
        655.96   7.325    247
        655.15   7.316    257
        653.32   7.295     32
    

in CDCl3

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liquid film

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