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返回ChemicalBook首页>CAS数据库列表>17467-15-1更多图谱> 5-氨基-3-苯基-1,2,4-噻重氮(17467-15-1)核磁图(13CNMR)

17467-15-1

5-氨基-3-苯基-1,2,4-噻重氮(17467-15-1)核磁图(13CNMR)

分子式:C8H7N3S

分子量: 177.23

InChI:InChI=1S/C8H7N3S/c9-8-10-7(11-12-8)6-4-2-1-3-5-6/h1-5H,(H2,9,10,11)

InChIKey: OYAHSBDYBOBAAQ-UHFFFAOYSA-N

Smiles:S1C(N)=NC(C2=CC=CC=C2)=N1

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    Mass

    MS-NW-6237          
    5-amino-3-phenyl-1,2,4-thiadiazole
    C8H7N3S             (Mass of molecular ion:    177)
    

       Source Temperature: 160 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          17.0       1.2
          18.0       6.2
          27.0       1.3
          28.0       2.5
          38.0       1.2
          39.0       3.2
          42.0       2.4
          43.0       1.0
          45.0       1.4
          46.0       1.5
          47.0       1.2
          50.0       6.3
          51.0       9.1
          52.0       2.3
          60.0       2.6
          62.0       1.0
          63.0       2.5
          64.0       1.5
          74.0       8.9
          75.0       3.7
          76.0      10.5
          77.0      21.6
          78.0       1.7
          88.5       2.7
          90.0       1.2
          91.0       5.6
         102.0       1.2
         103.0      27.6
         104.0       8.3
         108.0       4.1
         109.0       1.5
         134.0       3.5
         135.0     100.0
         136.0       9.9
         137.0       5.3
         177.0      80.7
         178.0       9.0
         179.0       4.4
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H7 N3 S 0.042 g : 0.5 ml CDCl3
    5-amino-3-phenyl-1,2,4-thiadiazole
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.13 B 7.53 to 7.33 C 5.98

         Hz     ppm     Int.
    

        737.19   8.232     47
        736.31   8.222     32
        735.06   8.208     65
        733.19   8.187    380
        731.69   8.170    227
        731.00   8.163    217
        730.00   8.151    363
        729.06   8.141    319
        727.75   8.126    326
        726.31   8.110    402
        724.94   8.095    286
        723.38   8.078    518
        721.38   8.055    106
        719.44   8.034     68
        677.31   7.563     32
        676.13   7.550     31
        673.81   7.524     39
        672.25   7.507    110
        671.31   7.496     91
        670.31   7.485    242
        669.56   7.477    211
        668.31   7.463    881
        666.94   7.447    408
        666.19   7.439    495
        665.00   7.426    914
        663.81   7.412    487
        661.75   7.389   1000
        660.50   7.375    237
        660.00   7.370    261
        657.81   7.345    103
        656.25   7.328     39
        655.56   7.320     31
        535.88   5.984    122
    

in CDCl3

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KBr disc

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nujol mull

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