16632-21-6

2,4-二羟基-6-甲基-5-硝基嘧啶(16632-21-6)核磁图(¹HNMR)

产品名称:2,4-二羟基-6-甲基-5-硝基嘧啶

CAS:16632-21-6

分子式:C5H5N3O4

分子量: 171.11

InChI:InChI=1S/C5H5N3O4/c1-2-3(8(11)12)4(9)7-5(10)6-2/h1H3,(H2,6,7,9,10)

InChIKey: LIVYMRJSNFHYEN-UHFFFAOYSA-N

Smiles:C1(=O)NC(C)=C([N+]([O-])=O)C(=O)N1

¹HNMR

IR1

IR2

Mass

MS-NW-6933          
6-methyl-5-nitro-2,4(1H,3H)-pyrimidinedione
C5H5N3O4            (Mass of molecular ion:    171)

   Source Temperature: 200 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      14.0       1.0
      15.0       6.7
      17.0       2.1
      18.0       9.4
      26.0       5.3
      27.0      13.7
      28.0      14.2
      29.0       2.7
      30.0       8.4
      37.0       1.4
      38.0       3.9
      39.0       5.6
      40.0       4.9
      41.0       9.5
      42.0     100.0
      43.0       9.8
      44.0      10.1
      46.0       1.1
      51.0       2.3
      52.0       6.9
      53.0       9.3
      54.0      18.7
      55.0       2.6
      56.0       1.4
      66.0       1.2
      67.0       5.8
      68.0       7.0
      69.0       3.6
      70.0      11.1
      71.0       4.7
      81.0       1.8
      82.0       6.4
      83.0       8.8
      84.0       1.3
      85.0       1.6
      94.0       1.4
      98.0       1.7
      99.0       2.2
     110.0      12.4
     111.0       7.8
     112.0       2.2
     141.0       2.9
     154.0       4.2
     155.0       1.9
     170.0       1.2
     171.0      33.4
     172.0       2.6

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₅ H₅ N₃ O₄	0.042 g : 0.5 ml DMSO-d₆
6-methyl-5-nitro-2,4(1H,3H)-pyrimidinedione

    Assign.     Shift(ppm)

      A            11.7
      B             2.303

     Hz     ppm     Int.

   4712.14  11.791     57
    920.59   2.304   1000

KBr disc

nujol mull

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2,4-二羟基-6-甲基-5-硝基嘧啶(16632-21-6)核磁图(1HNMR)

2,4-二羟基-6-甲基-5-硝基嘧啶(16632-21-6)核磁图(¹HNMR)