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6310-09-4

2-乙酰基-5-氯噻酚(6310-09-4)核磁图(13CNMR)

分子式:C6H5ClOS

分子量: 160.62

InChI:InChI=1S/C6H5ClOS/c1-4(8)5-2-3-6(7)9-5/h2-3H,1H3

InChIKey: HTZGPEHWQCRXGZ-UHFFFAOYSA-N

Smiles:C(=O)(C1SC(Cl)=CC=1)C

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    Mass

    MS-KW-0222          
    2-acetyl-5-chlorothiophene
    C6H5ClOS            (Mass of molecular ion:    160)
    

       Source Temperature: 240 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       3.8
          36.0       1.1
          37.0       2.9
          38.0       4.4
          39.0       3.0
          42.0       1.4
          43.0      20.3
          44.0       1.6
          45.0       4.7
          47.0       1.1
          49.0       1.1
          50.0       1.7
          51.0       1.2
          53.0       2.0
          57.0       4.5
          58.0       1.7
          58.5       1.2
          69.0       3.0
          73.0      21.0
          74.0       1.1
          75.0       6.5
          79.0       2.0
          81.0       4.5
          82.0       5.2
          83.0       3.8
          84.0       1.1
         117.0      10.1
         118.0       3.2
         119.0       4.0
         120.0       1.2
         145.0     100.0
         146.0       6.3
         147.0      36.6
         148.0       2.3
         149.0       1.5
         160.0      43.2
         161.0       3.4
         162.0      15.9
         163.0       1.2
    

400 MHz in CDCl3

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in CDCl3

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KBr disk

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Nujol

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