N-羥甲基煙酰胺(3569-99-1)紅外圖譜(IR1)

產(chǎn)品名稱:N-羥甲基煙酰胺

CAS:3569-99-1

分子式:C7H8N2O2

分子量: 152.15

InChI:InChI=1S/C7H8N2O2/c10-5-9-7(11)6-2-1-3-8-4-6/h1-4,10H,5H2,(H,9,11)

InChIKey: JRFKIOFLCXKVOT-UHFFFAOYSA-N

Smiles:C1=NC=CC=C1C(NCO)=O

Mass

MS-NW-9975          
N-(hydroxymethyl)nicotinamide
C7H8N2O2            (Mass of molecular ion:    152)

   Source Temperature: 160 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      17.0       1.3
      18.0       6.7
      26.0       2.1
      27.0       2.1
      28.0       9.4
      29.0      25.0
      30.0      24.5
      31.0       1.3
      37.0       1.0
      38.0       1.9
      39.0       3.4
      44.0       8.7
      46.0       1.3
      49.0       1.9
      50.0      12.7
      51.0      35.0
      52.0      13.4
      53.0       3.1
      75.0       1.5
      76.0       2.7
      77.0       7.1
      78.0      76.8
      79.0      15.7
      80.0       1.0
      94.0       4.9
     104.0       2.6
     105.0       7.2
     106.0      70.9
     107.0       8.3
     122.0     100.0
     123.0      11.9
     152.0       1.1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₈ N₂ O₂	0.040 g : 0.5 ml DMSO-d₆
N-(hydroxymethyl)nicotinamide

    Assign.     Shift(ppm)

      A             9.38
      B             9.064
      C             8.739
      D             8.241
      E             7.537
      F             5.84
      G             4.767

     Hz     ppm     Int.

   3752.90   9.391    106
   3747.10   9.376    184
   3741.15   9.362    107
   3623.81   9.068    519
   3623.05   9.066    560
   3621.52   9.062    557
   3620.76   9.060    516
   3496.09   8.748    445
   3494.42   8.744    472
   3491.36   8.737    471
   3489.69   8.732    463
   3299.87   8.257    269
   3298.03   8.253    343
   3295.90   8.247    266
   3291.93   8.238    291
   3290.10   8.233    355
   3289.64   8.232    351
   3287.96   8.228    272
   3018.95   7.554    313
   3018.19   7.553    311
   3014.22   7.543    307
   3013.31   7.540    311
   3011.02   7.535    307
   3010.25   7.533    300
   3006.13   7.522    284
   3005.37   7.521    286
   2338.71   5.852    367
   2332.00   5.836    878
   2328.03   5.826     34
   2325.13   5.818    399
   1911.77   4.784    632
   1905.21   4.768   1000
   1898.65   4.751    626

in DMSO-d6

in D2O