68-94-0

6-Hydroxypurine(68-94-0) MS

Product Name6-Hydroxypurine

CAS 68-94-0

Molecular FormulaC5H4N4O

Molecular Weight136.11

InChIInChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)

InChIKey FDGQSTZJBFJUBT-UHFFFAOYSA-N

SmilesN1C2=C(N=CNC2=O)NC=1

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6-Hydroxypurine(68-94-0) MS
Mass

MS-NW-8160          
hypoxanthine
C5H4N4O             (Mass of molecular ion:    136)

   Source Temperature: 200 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      18.0       2.5
      27.0       3.7
      28.0      31.4
      29.0       6.4
      38.0       2.7
      39.0       3.0
      43.0       2.1
      53.0       8.5
      54.0      29.9
      55.0       3.0
      65.0       1.0
      66.0       2.8
      67.0       1.1
      68.0       1.2
      70.0       1.4
      80.0       2.6
      81.0      10.3
      82.0       4.5
     108.0       5.5
     109.0       5.8
     135.0       5.4
     136.0     100.0
     137.0       7.4

400 MHz in DMSO-d6

6-Hydroxypurine(68-94-0) MS

¹H NMR	399.65 MHz
C₅ H₄ N₄ O	saturated in DMSO-d₆
hypoxanthine

    Assign.     Shift(ppm)

      A     *1     12.4
      B     *1     12.2
      C             8.14
      D             7.991

     Hz     ppm     Int.

   5343.60  13.371     48
   4894.00  12.246    247
   3251.42   8.136    309
   3194.36   7.993   1000

in DMSO-d6

KBr disc

nujol mull

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