HOAt(39968-33-7) ¹H NMR

Product NameHOAt

CAS 39968-33-7

Molecular FormulaC5H4N4O

Molecular Weight136.11

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

InChIKey FPIRBHDGWMWJEP-UHFFFAOYSA-N

SmilesC12N(O)N=NC1=CC=CN=2

Request For Quotation

Mass

MS-IW-9314          
3H-1,2,3-triazolo(4,5-b)pyridin-3-ol
C5H4N4O             (Mass of molecular ion:    136)

   Source Temperature: 160 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      17.0       1.4
      18.0       5.5
      25.0       1.1
      26.0       8.9
      27.0       6.1
      28.0      32.6
      29.0       1.8
      30.0       9.1
      36.0       2.0
      37.0      21.6
      38.0      31.6
      39.0      22.7
      40.0      18.5
      41.0       5.1
      44.0       2.8
      45.0       1.4
      49.0       3.4
      50.0      14.3
      51.0      29.9
      52.0      28.2
      53.0      38.3
      54.0       4.0
      55.0       1.5
      62.0       2.6
      63.0       8.2
      64.0      38.1
      65.0      13.4
      66.0       2.7
      67.0       1.0
      75.0       2.4
      76.0       4.8
      77.0       5.0
      78.0     100.0
      79.0      14.0
      80.0       2.3
      91.0      40.8
      92.0      17.4
      93.0       1.2
      94.0       1.2
     108.0      85.5
     109.0       5.6
     120.0       7.9
     137.0       2.1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₅ H₄ N₄ O	0.038 g : 0.5 ml DMSO-d₆
3H-1,2,3-triazolo(4,5-b)pyridin-3-ol

    Assign.     Shift(ppm)

      A             8.825
      B             8.588
      C             7.566

     Hz     ppm     Int.

   3535.40   8.847     38
   3529.66   8.832    893
   3528.32   8.829    852
   3525.27   8.821    899
   3523.93   8.818    791
   3437.38   8.601    969
   3436.04   8.598    945
   3428.96   8.580   1000
   3427.61   8.577    940
   3030.03   7.582    947
   3025.63   7.571    915
   3021.61   7.561    909
   3017.21   7.550    878

in DMSO-d6