2-巰基-4-甲基嘧啶鹽酸鹽(6959-66-6)紅外圖譜(IR1)

產(chǎn)品名稱:2-巰基-4-甲基嘧啶鹽酸鹽

CAS:6959-66-6

分子式:C5H7ClN2S

分子量: 162.64

InChI:InChI=1S/C5H6N2S.ClH/c1-4-2-3-6-5(8)7-4;/h2-3H,1H3,(H,6,7,8);1H

InChIKey: UQJLPBLXSJWAKG-UHFFFAOYSA-N

Smiles:N1C(S)=NC=CC=1C.Cl

Mass

MS-NW-6697          
4-methyl-2-pyrimidinethiol hydrochloride
C5H6N2S HCl         (Mass of molecular ion:    126)

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

      15.0       3.7
      18.0       3.5
      26.0       3.3
      27.0       3.5
      28.0      10.3
      32.0       2.3
      33.0       1.7
      35.0       5.9
      36.0      44.4
      37.0       3.5
      38.0      14.1
      39.0      23.5
      40.0      10.2
      41.0      14.8
      42.0       9.9
      43.0       1.1
      44.0       2.0
      45.0       3.7
      50.0       1.3
      51.0       3.0
      52.0       6.6
      53.0       3.7
      57.0       4.2
      58.0       5.2
      59.0       8.8
      60.0       9.5
      63.0       2.1
      64.0       2.0
      65.0       1.3
      66.0      10.1
      67.0       5.9
      68.0      59.3
      69.0       3.2
      70.0       2.8
      71.0       1.0
      72.0       3.4
      81.0       1.0
      82.0       6.8
      83.0       2.0
      84.0       8.0
      85.0       3.1
      93.0       3.3
      98.0       2.2
      99.0       1.5
     111.0      26.8
     112.0       1.6
     113.0       1.3
     125.0       4.5
     126.0     100.0
     127.0       7.6
     128.0       5.1

90 MHz in DMSO-d6

¹H NMR	89.56 MHz
C₅ H₆ N₂ S	0.041 g : 0.5 ml DMSO-d₆
4-methyl-2-pyrimidinethiol hydrochloride

    Assign.     Shift(ppm)

      A             9.05
      B             8.534
      C             7.230
      D             2.426

     Hz     ppm     Int.

    810.13   9.046    430
    766.92   8.564    293
    761.94   8.508    325
    650.32   7.262    220
    649.80   7.256    211
    645.26   7.205    191
    644.75   7.200    198
    217.38   2.428   1000
    217.02   2.424    938

in DMSO-d6