99-61-6

間硝基苯甲醛(99-61-6)質(zhì)譜(MS)

產(chǎn)品名稱:間硝基苯甲醛

CAS:99-61-6

分子式:C7H5NO3

分子量: 151.12

InChI:InChI=1S/C7H5NO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H

InChIKey: ZETIVVHRRQLWFW-UHFFFAOYSA-N

Smiles:C(=O)C1=CC=CC([N+]([O-])=O)=C1

Mass

MS-IW-3685          
m-nitrobenzaldehyde
C7H5NO3             (Mass of molecular ion:    151)

   Source Temperature: 210 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      27.0       2.5
      28.0       2.3
      29.0       3.0
      30.0       3.6
      37.0       2.4
      38.0       3.1
      39.0       4.5
      49.0       1.6
      50.0      22.6
      51.0      52.8
      52.0       2.6
      61.0       1.5
      62.0       2.1
      63.0       3.5
      64.0       2.3
      65.0       7.4
      73.0       2.0
      74.0      10.9
      75.0      11.4
      76.0      20.5
      77.0      68.6
      78.0       4.7
      92.0       3.3
      93.0       1.0
     104.0      16.1
     105.0      51.8
     106.0       4.1
     121.0       2.0
     122.0       1.3
     135.0       1.1
     150.0      80.6
     151.0     100.0
     152.0       8.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₅ N O₃	0.051 g : 0.5 ml CDCl₃
m-nitrobenzaldehyde

    Assign.     Shift(ppm)

      A            10.152
      B             8.727
      C             8.509
      D             8.269
      E             7.811

     Hz     ppm     Int.

   4057.62  10.153    993
   4057.16  10.152   1000
   3489.84   8.733    283
   3488.01   8.728    394
   3486.33   8.724    289
   3406.68   8.525    197
   3405.46   8.522    206
   3404.39   8.519    198
   3403.17   8.516    196
   3398.44   8.504    207
   3397.37   8.501    225
   3396.15   8.498    216
   3395.08   8.496    200
   3310.09   8.283    200
   3308.72   8.280    287
   3307.50   8.276    203
   3302.46   8.264    220
   3301.09   8.260    313
   3299.87   8.257    218
   3129.58   7.831    268
   3121.49   7.811    399
   3113.71   7.792    235

in CDCl3