51-12-7

烟肼酰胺(51-12-7)Raman光谱

分子式:C16H18N4O2

分子量: 298.34

InChI:InChI=1S/C16H18N4O2/c21-15(18-12-13-4-2-1-3-5-13)8-11-19-20-16(22)14-6-9-17-10-7-14/h1-7,9-10,19H,8,11-12H2,(H,18,21)(H,20,22)

InChIKey: NOIIUHRQUVNIDD-UHFFFAOYSA-N

Smiles:C1=NC=CC(C(NNCCC(=O)NCC2=CC=CC=C2)=O)=C1

Mass

MS-NW-9231          
isonicotino(2-(2-(benzylcarbamoyl)ethyl)hydrazide)
C16H18N4O2          (Mass of molecular ion:    298)

   Source Temperature: 200 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      17.0       5.1
      18.0      26.1
      27.0       4.6
      28.0      12.4
      29.0       2.2
      30.0       5.8
      31.0       1.4
      39.0       3.3
      41.0       1.7
      42.0       2.3
      43.0       5.9
      44.0      82.8
      45.0       3.1
      50.0       4.2
      51.0      18.3
      52.0       4.3
      53.0       1.2
      55.0       9.9
      56.0       1.3
      57.0       2.8
      58.0       1.2
      59.0       3.9
      63.0       1.4
      65.0      10.1
      70.0       2.1
      77.0       6.1
      78.0      32.4
      79.0      20.6
      80.0       2.2
      84.0       2.2
      85.0       1.7
      89.0       1.7
      90.0       1.1
      91.0     100.0
      92.0      10.5
      93.0       1.1
     104.0       4.1
     105.0       5.7
     106.0      67.1
     107.0      19.5
     108.0       3.7
     117.0       6.4
     118.0       4.4
     122.0       5.5
     123.0      23.6
     124.0       2.2
     132.0       2.5
     133.0       1.0
     137.0       5.8
     148.0       4.9
     149.0      17.3
     150.0      11.8
     151.0       1.0
     160.0       2.4
     161.0       6.9
     162.0       3.5
     163.0       1.1
     176.0       2.7
     177.0      60.3
     178.0       7.3
     298.0       3.1
     299.0       1.3

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₆ H₁₈ N₄ O₂	0.036 g : 0.5 ml DMSO-d₆
isonicotino(2-(2-(benzylcarbamoyl)ethyl)hydrazide)

    Assign.     Shift(ppm)

      A            10.3
      B             8.732
      C             8.44
      D             7.755
      E             7.32
      F             7.28
      G             7.24
      J             5.44
      K             4.292
      L             3.073
      M             2.391

     Hz     ppm     Int.

   4145.35  10.373    203
   4139.40  10.358    218
   3497.77   8.753     82
   3492.89   8.740    793
   3491.36   8.737    562
   3488.46   8.729    537
   3486.94   8.725    818
   3377.69   8.452    137
   3375.40   8.446     99
   3371.89   8.438    254
   3365.94   8.423    136
   3102.42   7.763   1000
   3100.89   7.760    636
   3097.99   7.752    624
   3096.47   7.748    980
   2933.50   7.341    253
   2931.98   7.337    144
   2926.18   7.322    674
   2925.26   7.320    541
   2921.14   7.310    277
   2919.16   7.305    810
   2912.14   7.287    688
   2910.61   7.283    976
   2903.90   7.267    462
   2900.24   7.257    274
   2898.86   7.254    279
   2897.19   7.250    188
   2893.98   7.242    184
   2891.69   7.236    372
   2889.25   7.230    125
   2886.35   7.223    107
   2884.67   7.218    146
   2179.11   5.453    160
   1718.44   4.300    713
   1712.49   4.285    707
   1237.03   3.096    158
   1235.20   3.091    146
   1230.47   3.079    361
   1224.52   3.064    373
   1217.96   3.048    164
    962.68   2.409    381
    955.81   2.392    761
    948.79   2.375    361

in DMSO-d6