7364-25-2

3-吲唑啉酮(7364-25-2)紅外圖譜(IR2)

產(chǎn)品名稱:3-吲唑啉酮

CAS:7364-25-2

分子式:C7H6N2O

分子量: 134.14

InChI:InChI=1S/C7H6N2O/c10-7-5-3-1-2-4-6(5)8-9-7/h1-4H,(H2,8,9,10)

InChIKey: SWEICGMKXPNXNU-UHFFFAOYSA-N

Smiles:N1C2=C(C=CC=C2)C(=O)N1

Mass

MS-NW-6707          
3-indazolinone
C7H6N2O             (Mass of molecular ion:    134)

   Source Temperature: 230 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      18.0       1.7
      25.0       1.0
      26.0       3.5
      27.0       5.8
      28.0       5.9
      29.0       7.4
      30.0       1.1
      36.0       1.5
      37.0      13.1
      38.0      16.7
      39.0      16.1
      40.0       2.9
      41.0       2.6
      43.0       2.3
      44.0       5.5
      45.0       1.0
      48.0       1.0
      49.0       5.8
      50.0      37.6
      51.0      47.3
      52.0      37.0
      53.0       7.0
      54.0       2.4
      55.0       1.2
      60.0       1.6
      61.0       6.4
      62.0       9.5
      63.0      19.8
      64.0      13.4
      65.0       5.8
      66.0       1.4
      67.0       2.4
      73.0       4.1
      74.0      15.0
      75.0      12.0
      76.0      29.2
      77.0      76.8
      78.0      39.2
      79.0      36.2
      80.0       4.3
      86.0       1.3
      87.0       1.5
      88.0       1.7
      89.0       2.0
      90.0       3.8
      91.0       6.3
      92.0       1.6
     104.0       6.0
     105.0     100.0
     106.0      10.6
     118.0       1.5
     133.0       2.7
     134.0      89.5
     135.0       7.8

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₆ N₂ O	0.041 g : 0.5 ml DMSO-d₆
3-indazolinone

    Assign.     Shift(ppm)

      A            11.
      B             7.674
      C             7.31
      D             6.944

     Hz     ppm     Int.

   4445.82  11.125     31
   3071.15   7.685    413
   3063.28   7.665    432
   2933.96   7.342     68
   2933.59   7.341     67
   2922.24   7.312   1000

in DMSO-d6