17467-15-1

5-氨基-3-苯基-1,2,4-噻重氮(17467-15-1)紅外圖譜(IR1)

產(chǎn)品名稱:5-氨基-3-苯基-1,2,4-噻重氮

CAS:17467-15-1

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

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

¹H NMR	89.56 MHz
C₈ H₇ N₃ S	0.042 g : 0.5 ml CDCl₃
5-amino-3-phenyl-1,2,4-thiadiazole

    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