Uracil(66-22-8) IR2

Product NameUracil

CAS 66-22-8

Molecular FormulaC4H4N2O2

Molecular Weight112.09

InChIInChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)

InChIKey ISAKRJDGNUQOIC-UHFFFAOYSA-N

SmilesC1(=O)NC=CC(=O)N1

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Mass

MS-NW-8156          
uracil
C4H4N2O2            (Mass of molecular ion:    112)

   Source Temperature: 190 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      14.0       1.4
      17.0       2.3
      18.0      12.3
      26.0       3.2
      27.0       2.9
      28.0      34.1
      29.0       2.0
      38.0       2.3
      39.0       4.6
      40.0      16.9
      41.0      18.8
      42.0      47.2
      43.0       4.7
      44.0       4.0
      53.0       1.2
      56.0       1.1
      67.0       1.9
      68.0      15.2
      69.0      64.9
      70.0       6.5
     112.0     100.0
     113.0       5.5

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₄ H₄ N₂ O₂	saturated in DMSO-d₆
uracil

    Assign.     Shift(ppm)

      A            11.02
      B            10.82
      C             7.406
      D             5.473
     
     J(C,D)=7.5HZ, J(B,C)=5.7HZ

     Hz     ppm     Int.

   4404.75  11.022    492
   4324.19  10.820    369
   2971.04   7.435     40
   2966.46   7.423    859
   2960.82   7.409    887
   2958.98   7.404   1000
   2953.19   7.390    880
   2192.69   5.487    521
   2191.31   5.484    770
   2189.79   5.480    672
   2185.06   5.468    536
   2183.53   5.464    770
   2182.16   5.461    658
   2174.53   5.442     23

in DMSO-d6