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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>13980-76-2更多圖譜> 1,2-二氫-1-(4-甲氧基苯基)-5H-四唑-5-硫酮(13980-76-2)紅外圖譜(IR1)

13980-76-2

1,2-二氫-1-(4-甲氧基苯基)-5H-四唑-5-硫酮(13980-76-2)紅外圖譜(IR1)

分子式:C8H8N4OS

分子量: 208.24

InChI:InChI=1S/C8H8N4OS/c1-13-7-4-2-6(3-5-7)12-8(14)9-10-11-12/h2-5H,1H3,(H,9,11,14)

InChIKey: UFALKIBIWOKBDL-UHFFFAOYSA-N

Smiles:N1(C2=CC=C(OC)C=C2)C(=S)N=NN1

  • 圖譜
    Mass

    MS-KW-0197          
    1-(p-methoxyphenyl)-1H-tetrazole-5-thiol
    C8H8N4OS            (Mass of molecular ion:    208)
    

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

          15.0       2.0
          18.0       4.8
          26.0       1.4
          27.0       1.9
          28.0      12.0
          29.0       1.2
          32.0       1.3
          34.0       1.0
          37.0       1.2
          38.0       3.0
          39.0       4.6
          41.0       1.4
          43.0       8.5
          44.0       1.5
          45.0       2.0
          50.0       4.2
          51.0       7.0
          52.0       7.0
          53.0       3.7
          59.0       1.1
          61.0       1.1
          62.0       2.5
          63.0       8.4
          64.0      11.9
          65.0       2.4
          66.0       1.8
          69.0       1.1
          70.0       1.4
          74.0       2.6
          75.0       1.6
          76.0       2.3
          77.0       6.7
          78.0       9.7
          79.0       1.8
          80.0       4.8
          82.5       4.9
          83.0       1.3
          90.0       5.4
          91.0       2.4
          92.0       4.7
          93.0       1.2
          95.0       1.9
          96.0       1.4
         103.0       1.6
         105.0       7.7
         106.0       4.5
         107.0       2.9
         108.0       1.3
         121.0       3.9
         122.0      14.8
         123.0       1.8
         124.0       1.0
         133.0      28.0
         134.0       5.1
         137.0       1.1
         138.0       2.0
         147.0       8.6
         148.0      22.5
         149.0       3.8
         150.0      40.5
         151.0       3.9
         152.0       2.3
         153.0       9.2
         165.0     100.0
         166.0      10.1
         167.0       5.3
         180.0       2.4
         208.0      71.1
         209.0       8.0
         210.0       3.9
    

400 MHz in DMSO-d6

  • 圖譜

    1H NMR 399.65 MHz
    C8 H8 N4 O S 0.031 g : 0.5 ml DMSO-d6
    1-(p-methoxyphenyl)-1H-tetrazole-5-thiol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.759 B 7.152 C 3.849

         Hz     ppm     Int.
    

       3108.89   7.780     37
       3105.59   7.771    249
       3103.52   7.766     97
       3100.83   7.759     34
       3098.75   7.754     95
       3096.56   7.749    267
       3093.26   7.740     36
       2866.33   7.173     41
       2862.92   7.164    264
       2860.84   7.159     99
       2856.08   7.147     91
       2853.88   7.141    243
       2850.59   7.133     32
       1538.33   3.850   1000
    

in DMSO-d6

  • 圖譜

KBr disk

  • 圖譜

Nujol

  • 圖譜

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