4-Phenylurazole(15988-11-1) IR1

Product Name4-Phenylurazole

CAS 15988-11-1

Molecular FormulaC8H7N3O2

Molecular Weight177.16

InChIInChI=1S/C8H7N3O2/c12-7-9-10-8(13)11(7)6-4-2-1-3-5-6/h1-5H,(H,9,12)(H,10,13)

InChIKey GOSUFRDROXZXLN-UHFFFAOYSA-N

SmilesN1C(=O)N(C2=CC=CC=C2)C(=O)N1

Request For Quotation

Mass

MS-IW-4933          
4-phenyl-1,2,4-triazolidine-3,5-dione
C8H7N3O2            (Mass of molecular ion:    177)

   Source Temperature: 160 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      18.0       2.0
      27.0       1.1
      28.0       1.3
      29.0       2.2
      30.0       3.7
      37.0       1.3
      38.0       3.1
      39.0       4.2
      41.0       1.4
      50.0       2.5
      51.0       6.4
      52.0       2.4
      58.0       4.6
      62.0       1.2
      63.0       5.4
      64.0      10.8
      65.0       3.9
      74.5       1.4
      77.0      25.8
      78.0       2.3
      90.0       1.2
      91.0      16.1
      92.0      11.8
      93.0       2.8
     119.0      79.9
     120.0      37.5
     121.0       2.9
     146.0       1.1
     177.0     100.0
     178.0      10.1

90 MHz in DMSO-d6

¹H NMR	89.56 MHz
C₈ H₇ N₃ O₂	0.042 g : 0.5 ml DMSO-d₆
4-phenyl-1,2,4-triazolidine-3,5-dione

    Assign.     Shift(ppm)

      A            10.5
      B          7.65 to 7.28

     Hz     ppm     Int.

    939.44  10.490     38
    674.69   7.534     31
    672.13   7.505     73
    671.56   7.499     81
    670.19   7.484    128
    667.69   7.456   1000
    666.00   7.437    197
    665.00   7.426    233
    663.69   7.411     60
    663.13   7.405     69
    661.81   7.390     31
    660.94   7.380     33
    657.75   7.345     27

DMSO-d6