712-97-0

6-硝基胡椒醛(712-97-0)红外图谱(IR1)

产品名称:6-硝基胡椒醛

CAS:712-97-0

分子式:C8H5NO5

分子量: 195.13

InChI:InChI=1S/C8H5NO5/c10-3-5-1-7-8(14-4-13-7)2-6(5)9(11)12/h1-3H,4H2

InChIKey: NRZWECORTTWSEF-UHFFFAOYSA-N

Smiles:O1C2=CC([N+]([O-])=O)=C(C=O)C=C2OC1

Mass

MS-NW-7509          
6-nitropiperonal
C8H5NO5             (Mass of molecular ion:    195)

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

      14.0       1.2
      26.0       1.8
      27.0       3.4
      28.0      11.9
      29.0      12.7
      30.0       9.8
      31.0       1.7
      32.0       1.0
      37.0       8.6
      38.0       5.8
      39.0      22.4
      40.0       1.3
      42.0       4.8
      49.0       4.3
      50.0      18.9
      51.0      25.2
      52.0       8.7
      53.0      37.8
      54.0       2.8
      55.0      25.3
      56.0       1.0
      60.0       1.9
      61.0      19.2
      62.0      60.4
      63.0      56.0
      64.0       8.2
      65.0      22.8
      66.0       3.1
      67.0       2.6
      68.0       2.0
      69.0      26.1
      70.0       1.1
      73.0       1.1
      74.0       2.4
      75.0       3.0
      76.0       2.7
      77.0       5.1
      78.0       2.5
      79.0      54.1
      80.0       4.6
      81.0       2.9
      89.0       1.1
      90.0       3.5
      91.0      10.7
      92.0       2.5
      93.0       1.4
      95.0       2.1
     105.0       1.0
     107.0      92.5
     108.0       7.3
     109.0       5.2
     118.0       1.4
     119.0      23.9
     120.0      60.6
     121.0      12.7
     122.0       2.1
     123.0       1.6
     124.0       1.2
     134.0       5.8
     135.0       2.7
     136.0       1.2
     137.0      12.8
     138.0       1.1
     148.0      34.2
     149.0       3.9
     151.0       7.2
     165.0     100.0
     166.0       9.6
     167.0       1.4
     178.0       3.9
     195.0      59.6
     196.0       7.5
     197.0       1.2
     212.0       4.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₅ N O₅	0.036 g : 0.5 ml CDCl₃
6-nitropiperonal

    Assign.     Shift(ppm)

      A            10.287
      B             7.529
      C             7.327
      D             6.242

     Hz     ppm     Int.

    924.76  10.326     24
    921.39  10.288    581
    674.34   7.530    459
    659.91   7.369     30
    659.62   7.366     30
    656.25   7.328    497
    654.05   7.303     34
    559.13   6.244   1000

in CDCl3