873-83-6

4-氨基-2,6-二羟基嘧啶(873-83-6)Raman光谱

产品名称:4-氨基-2,6-二羟基嘧啶

CAS:873-83-6

分子式:C4H5N3O2

分子量: 127.1

InChI:InChI=1S/C4H5N3O2/c5-2-1-3(8)7-4(9)6-2/h1H,(H4,5,6,7,8,9)

InChIKey: LNDZXOWGUAIUBG-UHFFFAOYSA-N

Smiles:C1(=O)NC(N)=CC(=O)N1

Mass

MS-NW-5026          
6-aminouracil
C4H5N3O2            (Mass of molecular ion:    127)

   Source Temperature: 190 °C
   Sample Temperature: 260 °C
   Direct, 75 eV

      12.0       1.4
      13.0       1.1
      14.0       2.0
      16.0       1.6
      17.0       2.9
      18.0      10.2
      26.0       5.1
      27.0      31.1
      28.0      42.9
      29.0       5.8
      38.0       4.6
      39.0       9.0
      40.0      14.2
      41.0      20.4
      42.0      22.2
      43.0      44.4
      44.0       6.7
      53.0       1.7
      55.0       5.1
      56.0       4.3
      66.0       7.6
      67.0       8.2
      68.0      36.7
      69.0       2.5
      70.0       1.5
      71.0       1.0
      84.0      24.8
      85.0       5.3
      99.0      12.6
     100.0       2.0
     111.0       1.3
     127.0     100.0
     128.0       6.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₄ H₅ N₃ O₂	0.038 g : 0.5 ml DMSO-d₆
6-aminouracil

    Assign.     Shift(ppm)

      A             9.9
      B             6.16
      C             4.426

     Hz     ppm     Int.

   3962.25   9.915     33
   2460.94   6.158    351
   1769.10   4.427   1000

in DMSO-d6

KBr disc

nujol mull

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