932-53-6

6-氮杂胸腺嘧啶(932-53-6)核磁图(¹HNMR)

产品名称:6-氮杂胸腺嘧啶

CAS:932-53-6

分子式:C4H5N3O2

分子量: 127.1

InChI:InChI=1S/C4H5N3O2/c1-2-3(8)5-4(9)7-6-2/h1H3,(H2,5,7,8,9)

InChIKey: XZWMZFQOHTWGQE-UHFFFAOYSA-N

Smiles:N1=C(C)C(=O)NC(=O)N1

Mass

MS-NW-1174          
6-methyl-1,2,4-triazine-3,5(2H,4H)-dione
C4H5N3O2            (Mass of molecular ion:    127)

   Source Temperature: 210 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      14.0       1.1
      15.0       3.8
      16.0       1.0
      18.0       3.2
      25.0       1.5
      26.0      13.8
      27.0      28.0
      28.0       4.2
      29.0      10.7
      36.0       1.4
      38.0       1.3
      39.0       1.6
      40.0       4.1
      41.0       4.2
      42.0      18.1
      43.0      13.8
      44.0      10.3
      53.0       3.8
      54.0       2.0
      55.0       7.3
      56.0      88.6
      57.0       3.4
      70.0       3.0
      83.0       1.3
      84.0       9.2
      99.0       2.7
     127.0     100.0
     128.0       5.5

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₄ H₅ N₃ O₂	0.039 g : 0.5 ml DMSO-d₆
6-methyl-1,2,4-triazine-3,5(2H,4H)-dione

    Assign.     Shift(ppm)

      A     *1     12.0
      B     *1     11.9
      C             2.051

     Hz     ppm     Int.

   4790.54  11.987     74
   4741.45  11.865     47
    820.22   2.053   1000

in DMSO-d6

KBr disc

nujol mull

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6-氮杂胸腺嘧啶(932-53-6)核磁图(1HNMR)

6-氮杂胸腺嘧啶(932-53-6)核磁图(¹HNMR)