5-ETHYL-5-(P-HYDROXY- PHENYL)BARBITURIC ACID(80866-89-3) MS

Product Name5-ETHYL-5-(P-HYDROXY- PHENYL)BARBITURIC ACID

CAS 80866-89-3

Molecular FormulaC12H14N2O5

Molecular Weight

InChIInChI=1S/C12H12N2O4/c1-2-12(7-3-5-8(15)6-4-7)9(16)13-11(18)14-10(12)17/h3-6,15H,2H2,1H3,(H2,13,14,16,17,18)

InChIKey IEPXMKJNWPXDBP-UHFFFAOYSA-N

SmilesN1C(=O)C(CC)(C2=CC=C(O)C=C2)C(=O)NC1=O

Request For Quotation

IR1

IR2

Raman

Mass

MS-NW-6632          
5-ethyl-5-(p-hydroxyphenyl)barbituric acid
C12H12N2O4 H2O      (Mass of molecular ion:    248)

   Source Temperature: 230 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      18.0       1.4
      26.0       1.4
      27.0       8.3
      28.0       2.5
      29.0       4.2
      38.0       2.6
      39.0      12.5
      40.0       1.5
      41.0       2.0
      42.0       1.0
      43.0       3.5
      44.0       4.8
      45.5       1.7
      50.0       5.2
      51.0      14.6
      52.0       3.7
      53.0       3.7
      54.0       1.0
      55.0       4.9
      59.0       2.0
      59.5       6.5
      62.0       2.6
      63.0       6.7
      64.0       3.3
      65.0      14.6
      65.5       1.7
      66.0       5.2
      67.0       1.5
      70.0       3.4
      73.5       1.9
      74.0       2.2
      75.0       2.8
      76.0       3.1
      77.0      14.8
      78.0       5.6
      79.0       5.9
      81.0       1.3
      89.0       3.7
      90.0       2.1
      91.0       8.3
      92.0       2.9
      93.0       3.0
      94.0       9.1
     102.0       1.8
     103.0       5.2
     104.0       2.0
     105.0      13.0
     106.0       3.6
     107.0       9.4
     108.0       2.4
     115.0       3.8
     116.0       1.6
     117.0       2.3
     118.0       3.6
     119.0       8.6
     120.0      36.4
     121.0      16.3
     122.0       1.8
     131.0       6.1
     132.0       4.3
     133.0      22.3
     134.0      17.1
     135.0       2.1
     147.0       1.0
     148.0      47.0
     149.0       6.6
     158.0       1.0
     159.0       3.5
     160.0       1.7
     161.0       2.3
     162.0       8.9
     163.0       1.2
     176.0      12.0
     177.0      10.8
     178.0       1.8
     188.0       3.4
     190.0       3.0
     191.0       4.9
     192.0       1.1
     201.0       1.7
     202.0       1.8
     203.0       2.0
     205.0       2.4
     219.0     100.0
     220.0      49.7
     221.0       6.0
     231.0       2.5
     248.0      86.2
     249.0      12.2
     250.0       1.6

KBr disc

nujol mull

4880 A,200 M,powder

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