1HNMR)的核磁圖,紅外圖譜,Raman光譜,質(zhì)譜等圖譜" /> 1HNMR)" />

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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>24065-33-6更多圖譜> 2-氯噻吩-5-甲酸(24065-33-6)核磁圖(1HNMR)

24065-33-6

2-氯噻吩-5-甲酸(24065-33-6)核磁圖(1HNMR)

產(chǎn)品名稱:2-氯噻吩-5-甲酸

CAS:24065-33-6

分子式:C5H3ClO2S

分子量: 162.59

InChI:InChI=1S/C5H3ClO2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)

InChIKey: QZLSBOVWPHXCLT-UHFFFAOYSA-N

Smiles:C1(C(O)=O)SC(Cl)=CC=1

  • 圖譜
    Mass

    MS-IW-2673          
    5-chloro-2-thenoic acid
    C5H3ClO2S           (Mass of molecular ion:    162)
    

       Source Temperature: 220 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          17.0       2.8
          18.0      12.7
          36.0       1.7
          37.0       5.8
          38.0       7.6
          39.0       9.2
          41.0       1.8
          44.0       4.4
          45.0      13.9
          47.0       1.9
          49.0       2.7
          50.0       1.7
          53.0       2.4
          55.0       1.0
          56.0       1.1
          57.0      11.1
          58.0       3.8
          58.5       2.3
          59.0       1.0
          67.0       2.6
          68.0       1.9
          69.0       4.2
          71.0       2.3
          72.0       1.6
          73.0      28.5
          74.0       1.5
          75.0       8.9
          79.0       3.6
          80.0       1.3
          81.0       9.9
          82.0       9.7
          83.0       6.6
          84.0       1.4
          85.0       1.0
          92.0       1.0
         111.0       1.7
         117.0       7.6
         118.0       3.1
         119.0       2.9
         120.0       1.0
         128.0       1.2
         134.0       3.1
         136.0       1.1
         145.0     100.0
         146.0       6.6
         147.0      36.9
         148.0       2.3
         149.0       1.6
         162.0      75.7
         163.0       5.0
         164.0      28.0
         165.0       1.8
         166.0       1.2
    

400 MHz in DMSO-d6

  • 圖譜

    1H NMR 399.65 MHz
    C5 H3 Cl O2 S 0.033 g : 0.5 ml DMSO-d6
    5-chloro-2-thenoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.618 B 7.231

         Hz     ppm     Int.
    

       3046.63   7.624    959
       3042.60   7.614   1000
       3040.04   7.607     23
       2891.97   7.237    988
       2887.94   7.227    939
    

in DMSO-d6

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

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