611-08-5

5-硝基尿嘧啶(611-08-5)质谱(MS)

产品名称:5-硝基尿嘧啶

CAS:611-08-5

分子式:C4H3N3O4

分子量: 157.08

InChI:InChI=1S/C4H3N3O4/c8-3-2(7(10)11)1-5-4(9)6-3/h1H,(H2,5,6,8,9)

InChIKey: TUARVSWVPPVUGS-UHFFFAOYSA-N

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

Mass

MS-NW-0730          
5-nitro-2,4(1H,3H)-pyrimidinedione
C4H3N3O4            (Mass of molecular ion:    157)

   Source Temperature: 210 °C
   Sample Temperature: 250 °C
   Direct, 75 eV

      12.0       2.6
      13.0       1.0
      14.0       1.1
      15.0       3.4
      16.0       2.6
      17.0       4.7
      18.0      21.7
      25.0       1.3
      26.0      10.4
      27.0      59.0
      28.0     100.0
      29.0      17.6
      30.0      43.5
      32.0       1.0
      38.0       6.2
      39.0      14.8
      40.0      39.7
      41.0       6.8
      42.0      23.8
      43.0      89.8
      44.0      78.8
      45.0       1.9
      46.0       4.0
      48.0       6.2
      51.0       1.0
      52.0       7.0
      53.0      20.1
      54.0      12.6
      55.0       7.2
      56.0      20.3
      57.0       2.6
      66.0       1.1
      67.0      58.4
      68.0       7.5
      69.0       6.5
      70.0      28.9
      71.0      19.6
      81.0       4.6
      82.0       2.0
      83.0       1.7
      84.0       1.7
      95.0       1.0
      96.0       4.2
      97.0       2.5
      98.0       9.0
      99.0       7.7
     110.0       1.0
     111.0       1.2
     114.0       3.7
     115.0       2.3
     127.0       8.7
     141.0       3.6
     157.0      73.6
     158.0       4.5

parameter in DMSO-d6

¹H NMR	300 MHz
C₄ H₃ N₃ O₄	0.041 g : 0.5 ml DMSO-d₆
5-nitro-2,4(1H,3H)-pyrimidinedione

    Parameter     ppm  Hz

      D(A) *1     12.19
      D(B) *1     11.75
      D(C)         8.843

     Hz     ppm     Int.

   3657.01  12.190     35
   3525.02  11.750    118
   2652.91   8.843   1000

KBr disc

nujol mull

X-RAY IRRAD. 15N-LABELED

更多供应商

杭州布朗生物医药科技有限公司黄金产品

扬州聚和昌科技有限公司黄金产品

苏州泽郡生物科技有限公司黄金产品

宿州市天虹医药化工科技有限公司黄金产品

宁波戊己化工有限公司

Capot Chemical Co., Ltd