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返回ChemicalBook首頁(yè)>CAS數(shù)據(jù)庫(kù)列表>55690-60-3更多圖譜> 2-巰基-5-甲氧基苯并噻唑(55690-60-3)紅外圖譜(IR1)

55690-60-3

2-巰基-5-甲氧基苯并噻唑(55690-60-3)紅外圖譜(IR1)

產(chǎn)品名稱(chēng):2-巰基-5-甲氧基苯并噻唑

CAS:55690-60-3

分子式:C8H7NOS2

分子量: 197.28

InChI:InChI=1S/C8H7NOS2/c1-10-5-2-3-7-6(4-5)9-8(11)12-7/h2-4H,1H3,(H,9,11)

InChIKey: JDPITNFDYXOKRM-UHFFFAOYSA-N

Smiles:S1C2=CC=C(OC)C=C2NC1=S

  • 圖譜
    Mass

    MS-IW-9550          
    5-methoxy-2-benzothiazolethiol
    C8H7NOS2            (Mass of molecular ion:    197)
    

       Source Temperature: 170 °C
       Sample Temperature: 160 °C
       Direct, 75 eV
    

          15.0       1.0
          28.0       1.0
          38.0       1.3
          39.0       2.3
          45.0       8.9
          50.0       1.6
          51.0       3.8
          52.0       1.3
          53.0       1.0
          61.0       1.1
          62.0       2.4
          63.0       5.4
          64.0       1.1
          68.0       1.0
          69.0      10.4
          70.0       4.0
          71.0       1.6
          76.0       1.0
          77.0       1.2
          78.0       3.6
          79.0       1.5
          82.0       1.4
          83.0       1.8
          93.0       1.7
          94.0       1.0
          95.0      11.4
          96.0       4.1
          97.0       1.0
          98.0       1.3
          98.5       5.5
         102.0       1.0
         108.0       1.3
         109.0       2.6
         110.0       4.7
         121.0       1.1
         122.0       2.6
         123.0       6.6
         124.0       1.2
         127.0       3.9
         133.0       4.2
         134.0       1.0
         135.0       1.1
         138.0       2.0
         139.0       1.5
         150.0       1.2
         151.0       1.5
         152.0       1.7
         153.0       1.5
         154.0      27.1
         155.0       3.3
         156.0       2.6
         164.0       1.1
         165.0       2.7
         166.0       2.0
         167.0       1.9
         168.0       1.7
         178.0       1.0
         181.0       1.6
         182.0      39.3
         183.0       3.8
         184.0       3.9
         196.0       4.4
         197.0     100.0
         198.0      11.5
         199.0      10.0
         200.0       1.0
    

400 MHz in DMSO-d6

  • 圖譜

    1H NMR 399.65 MHz
    C8 H7 N O S2 0.038 g : 0.5 ml DMSO-d6
    5-methoxy-2-benzothiazolethiol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.568 B 6.928 C 6.837 D 3.803 E 3.7

         Hz     ppm     Int.
    

       3029.17   7.580    187
       3020.39   7.558    197
       2774.54   6.943    107
       2771.97   6.936    115
       2765.75   6.921     98
       2763.31   6.915    109
       2733.52   6.840    180
       2731.08   6.834    157
       1520.14   3.804   1000
    

in DMSO-d6

  • 圖譜

KBr disk

  • 圖譜

nujol mull

  • 圖譜

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