123-33-1

抑芽丹(123-33-1)质谱(MS)

产品名称:抑芽丹

CAS:123-33-1

分子式:C4H4N2O2

分子量: 112.09

InChI:InChI=1S/C4H4N2O2/c7-3-1-2-4(8)6-5-3/h1-2H,(H,5,7)(H,6,8)

InChIKey: BGRDGMRNKXEXQD-UHFFFAOYSA-N

Smiles:C1(=O)NNC(=O)C=C1

Mass

MS-NW-0247          
maleic hydrazide
C4H4N2O2            (Mass of molecular ion:    112)

   Source Temperature: 220 °C
   Sample Temperature:   0 °C
   Direct, 75 eV

      18.0       1.9
      25.0       3.3
      26.0      14.0
      27.0      11.9
      28.0       2.7
      29.0      11.3
      30.0       3.3
      37.0       1.5
      38.0       3.6
      39.0       1.2
      40.0       1.5
      41.0       5.4
      42.0       1.7
      43.0       1.8
      44.0       1.2
      51.0       2.0
      52.0       1.7
      53.0       6.8
      54.0      20.4
      55.0      32.0
      56.0       4.5
      58.0       2.8
      82.0      69.4
      83.0       3.9
      84.0       7.7
     112.0     100.0
     113.0       6.1

90 MHz in DMSO-d6

400 MHz in DMSO-d6

¹H NMR	89.56 MHz
C₄ H₄ N₂ O₂	0.046 g : 0.5 ml DMSO-d₆
maleic hydrazide

    Assign.     Shift(ppm)

      A            11.42
      B             6.952

     Hz     ppm     Int.

   1022.69  11.420     44
    622.63   6.953   1000

¹H NMR	399.65 MHz
C₄ H₄ N₂ O₂	0.041 g : 0.5 ml DMSO-d₆
maleic hydrazide

    Assign.     Shift(ppm)

      A            11.5
      B             6.973

     Hz     ppm     Int.

   4598.03  11.506     25
   2787.06   6.974   1000

in DMSO-d6

KBr disc

nujol mull

4880 A,200 M,powder

TI(III) COMPLEX, IN TOLUENE/BENZENE, 77K

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