87-39-8

VIOLURIC ACID(87-39-8) MS

Product NameVIOLURIC ACID

CAS 87-39-8

Molecular FormulaC4H3N3O4

Molecular Weight157.08

InChIInChI=1S/C4H3N3O4/c8-2-1(7-11)3(9)6-4(10)5-2/h11H,(H2,5,6,8,9,10)

InChIKey JMUJZTASUDOAGC-UHFFFAOYSA-N

SmilesC1(=O)NC(=O)/C(=N/O)/C(=O)N1

Request For Quotation

¹³CNMR

IR1

IR2

VIOLURIC ACID(87-39-8) MS
Mass

MS-NW-0290          
2,4,5,6-pyrimidinetetrone 5-oxime
C4H3N3O4            (Mass of molecular ion:    157)

   Source Temperature: 200 °C
   Sample Temperature:   0 °C
   Direct, 75 eV

      15.0       1.1
      16.0       2.6
      17.0       2.1
      18.0       7.9
      26.0       2.7
      27.0      13.5
      28.0      12.9
      29.0       9.2
      30.0      13.5
      36.0       1.7
      38.0       1.8
      39.0       2.0
      40.0       1.4
      41.0       4.4
      42.0      14.0
      43.0      57.9
      44.0      64.1
      45.0       1.8
      52.0       1.1
      53.0      12.9
      54.0      66.7
      55.0       9.8
      56.0      12.0
      57.0       2.5
      67.0       2.0
      68.0       2.1
      69.0       5.0
      70.0      30.7
      71.0      17.9
      81.0       1.0
      83.0       1.4
      84.0       2.6
      85.0       1.6
      86.0      11.8
      87.0       1.4
      96.0       2.3
      97.0       2.0
      98.0       3.1
     113.0       5.5
     114.0      58.1
     115.0       2.3
     140.0      19.1
     141.0       7.2
     157.0     100.0
     158.0       5.6

in DMSO-d6