636-26-0

4-Hydroxy-5-methyl-2-mercaptopyrimidine(636-26-0) ¹³C NMR

Product Name4-Hydroxy-5-methyl-2-mercaptopyrimidine

CAS 636-26-0

Molecular FormulaC5H6N2OS

Molecular Weight142.18

InChIInChI=1S/C5H6N2OS/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)

InChIKey ZLAQATDNGLKIEV-UHFFFAOYSA-N

SmilesC1(=S)NC=C(C)C(=O)N1

Request For Quotation

4-Hydroxy-5-methyl-2-mercaptopyrimidine(636-26-0) <sup>13</sup>C NMR
Mass

MS-IW-0042          
5-methyl-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone
C5H6N2OS            (Mass of molecular ion:    142)

   Source Temperature: 190 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      18.0       5.3
      26.0       1.4
      27.0       4.3
      28.0      17.0
      29.0       1.1
      32.0       1.0
      39.0       4.1
      40.0       1.7
      41.0       1.1
      52.0       1.8
      53.0       1.7
      54.0      12.5
      55.0      32.5
      56.0       4.9
      59.0       2.7
      60.0       3.0
      72.0       1.8
      81.0       2.6
      82.0       4.0
      83.0       3.7
      84.0      19.1
      85.0       1.1
      86.0       2.4
      97.0       1.3
     109.0       2.7
     113.0       1.3
     142.0     100.0
     143.0       7.5
     144.0       5.0

90 MHz in DMSO-d6

4-Hydroxy-5-methyl-2-mercaptopyrimidine(636-26-0) <sup>13</sup>C NMR

¹H NMR	89.56 MHz
C₅ H₆ N₂ O S	0.040 g : 0.5 ml DMSO-d₆
5-methyl-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone

    Assign.     Shift(ppm)

      A            12.3
      B             7.328
      C             1.792

     Hz     ppm     Int.

   1100.68  12.290     75
    656.93   7.336    291
    655.66   7.321    277
    166.70   1.862     28
    161.13   1.800   1000
    159.96   1.787    962

in DMSO-d6