1979-98-2

2-甲硫基-4,6-二羟基嘧啶(1979-98-2)核磁图(¹HNMR)

产品名称:2-甲硫基-4,6-二羟基嘧啶

CAS:1979-98-2

分子式:C5H6N2O2S

分子量: 158.18

InChI:InChI=1S/C5H6N2O2S/c1-10-5-6-3(8)2-4(9)7-5/h2H,1H3,(H2,6,7,8,9)

InChIKey: AEXCUJUYEZIWJV-UHFFFAOYSA-N

Smiles:C1(SC)=NC(O)=CC(=O)N1

Mass

MS-IW-1585          
2-methylthio-4,6-pyrimidinediol
C5H6N2O2S           (Mass of molecular ion:    158)

   Source Temperature: 190 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      15.0       1.3
      18.0       5.7
      28.0       4.0
      29.0       1.9
      30.0       1.8
      39.0       1.0
      40.0       1.9
      41.0       4.2
      42.0       7.4
      43.0      34.2
      44.0       7.0
      45.0       5.8
      46.0       4.0
      47.0       5.1
      48.0       2.4
      56.0       2.5
      57.0       2.5
      59.0       1.9
      60.0       2.3
      67.0       2.3
      68.0       3.5
      69.0      46.4
      70.0       2.8
      71.0       1.3
      73.0       4.8
      74.0       6.4
      84.0       2.1
      85.0       9.4
      86.0       4.9
      88.0       1.4
      89.0       5.5
      90.0       8.3
      96.0       1.8
      97.0       6.4
      98.0       1.0
     102.0       1.4
     111.0      11.5
     112.0      14.7
     113.0       1.3
     115.0       1.3
     116.0       7.8
     117.0       2.3
     125.0       3.7
     126.0       1.0
     130.0       6.8
     143.0       1.5
     157.0       2.1
     158.0     100.0
     159.0       8.8
     160.0       5.2
     172.0       4.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₅ H₆ N₂ O₂ S	0.033 g : 0.5 ml DMSO-d₆
2-methylthio-4,6-pyrimidinediol

    Assign.     Shift(ppm)

      A            11.8
      B             5.157
      C             2.475

     Hz     ppm     Int.

   2061.36   5.158    372
    989.28   2.476   1000

in DMSO-d6

KBr disc

nujol mull

更多供应商

Pure Chemistry Scientific Inc.

2-甲硫基-4,6-二羟基嘧啶(1979-98-2)核磁图(1HNMR)

2-甲硫基-4,6-二羟基嘧啶(1979-98-2)核磁图(¹HNMR)