3663-39-6

5-氨基-3-甲基-1,2,4-恶二唑(3663-39-6)质谱(MS)

产品名称:5-氨基-3-甲基-1,2,4-恶二唑

CAS:3663-39-6

分子式:C3H5N3O

分子量: 99.09

InChI:InChI=1S/C3H5N3O/c1-2-5-3(4)7-6-2/h1H3,(H2,4,5,6)

InChIKey: LGNNZKURGCOEJY-UHFFFAOYSA-N

Smiles:O1C(N)=NC(C)=N1

¹HNMR

¹³CNMR

Mass

MS-NW-7646          
5-amino-3-methyl-1,2,4-oxadiazole
C3H5N3O             (Mass of molecular ion:     99)

   Source Temperature: 150 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      15.0       6.5
      16.0       1.9
      26.0       1.4
      27.0      10.4
      28.0      10.9
      29.0       2.7
      30.0       2.8
      38.0       1.2
      39.0       2.0
      40.0       5.3
      41.0       8.0
      42.0      51.8
      43.0      48.9
      44.0      16.5
      53.0       2.3
      55.0       6.4
      56.0       6.6
      57.0       8.5
      58.0       4.8
      68.0       3.1
      69.0      12.0
      84.0       1.5
      99.0     100.0
     100.0       5.2

parameter in DMSO-d6

¹H NMR	300 MHz
C₃ H₅ N₃ O	0.037 g : 0.5 ml DMSO-d₆
5-amino-3-methyl-1,2,4-oxadiazole

    Parameter     ppm  Hz

      D(A)         7.62
     
      D(B)         2.057

     Hz     ppm     Int.

   2285.99   7.620    120
    617.12   2.057   1000

in DMSO-d6

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