ChemicalBook
English   Japanese   Germany   Korea
返回ChemicalBook首页>CAS数据库列表>333-49-3更多图谱> 4-氨基-2-巯基嘧啶(333-49-3)红外图谱(IR2)

333-49-3

4-氨基-2-巯基嘧啶(333-49-3)红外图谱(IR2)

分子式:C4H5N3S

分子量: 127.17

InChI:InChI=1S/C4H5N3S/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)

InChIKey: DCPSTSVLRXOYGS-UHFFFAOYSA-N

Smiles:C1(=S)NC(N)=CC=N1

  • 图谱
    Mass

    MS-NW-6836          
    4-amino-2-pyrimidinethiol
    C4H5N3S             (Mass of molecular ion:    127)
    

       Source Temperature: 220 °C
       Sample Temperature: 170 °C
       Direct, 75 eV
    

          15.0       1.3
          17.0       1.0
          18.0       4.6
          26.0       1.7
          27.0       2.3
          28.0      11.3
          32.0       2.4
          33.0       1.6
          38.0       2.5
          39.0       4.0
          40.0      16.6
          41.0      20.9
          42.0      17.9
          43.0       7.6
          44.0       1.7
          45.0       2.9
          51.0       1.9
          52.0       8.1
          53.0       3.8
          55.0       3.5
          57.0       3.2
          58.0       3.6
          59.0       5.1
          60.0       5.3
          66.0       5.5
          67.0      18.1
          68.0       5.2
          69.0      86.2
          70.0       3.7
          72.0       4.6
          83.0       4.1
          84.0       3.5
          85.0       2.3
          94.0       3.6
          99.0       8.4
         100.0       1.3
         111.0       5.5
         126.0       1.3
         127.0     100.0
         128.0       6.7
         129.0       4.9
    

400 MHz in DMSO-d6

  • 图谱

    1H NMR 399.65 MHz
    C4 H5 N3 S 0.028 g : 0.5 ml DMSO-d6
    4-amino-2-pyrimidinethiol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.0 B *1 7.82 C *1 7.60 D 7.467 E 5.964

         Hz     ppm     Int.
    

       4819.11  12.059    122
       3127.20   7.825    144
       3035.98   7.597    229
       2988.18   7.477    683
       2981.03   7.460    710
       2387.21   5.974    983
       2380.07   5.956   1000
    

in DMSO-d6

  • 图谱

KBr disc

  • 图谱

nujol mull

  • 图谱

  • 图谱

×