6628-86-0

5-氯-2-硝基苯甲醛(6628-86-0)Raman光谱

产品名称:5-氯-2-硝基苯甲醛

CAS:6628-86-0

分子式:C7H4ClNO3

分子量: 185.56

InChI:InChI=1S/C7H4ClNO3/c8-6-1-2-7(9(11)12)5(3-6)4-10/h1-4H

InChIKey: SWGPIDCNYAYXMJ-UHFFFAOYSA-N

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

Mass

MS-NW-0209          
5-chloro-2-nitrobenzaldehyde
C7H4ClNO3           (Mass of molecular ion:    185)

   Source Temperature: 160 °C
   Sample Temperature:   0 °C
   Direct, 75 eV

      27.0       1.1
      29.0       5.9
      30.0      10.7
      37.0       5.6
      38.0       5.2
      39.0       4.2
      49.0       3.3
      50.0      29.0
      51.0      12.5
      52.0       1.4
      53.0       3.4
      60.0       1.5
      61.0       4.9
      62.0       4.9
      63.0      14.8
      64.0       2.8
      72.0       1.1
      73.0      23.7
      74.0      34.9
      75.0      86.5
      76.0      13.8
      77.0       1.8
      78.0      10.0
      84.0       5.6
      85.0       8.9
      86.0       2.5
      87.0       3.1
      88.0       1.0
      90.0       2.0
      91.0       1.3
      92.0       1.3
      98.0       2.3
      99.0      88.0
     100.0       5.5
     101.0      28.0
     102.0       1.7
     109.0       2.5
     110.0      38.4
     111.0      16.5
     112.0      14.5
     113.0       7.3
     124.0       1.4
     125.0       1.6
     126.0       2.3
     127.0      85.6
     128.0       6.7
     129.0      28.6
     130.0       1.8
     138.0      29.0
     139.0       2.7
     140.0       9.6
     141.0       3.3
     155.0     100.0
     156.0       8.0
     157.0      32.0
     158.0       2.5
     168.0       3.1
     170.0       1.0
     185.0       9.7
     186.0       1.3
     187.0       3.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₄ Cl N O₃	0.047 g : 0.5 ml CDCl₃
5-chloro-2-nitrobenzaldehyde

    Assign.     Shift(ppm)

      A            10.412
      B             8.113
      C             7.890
      D             7.726
     
     J(B,D)=8.6HZ. J(C,D)=2.4HZ.

     Hz     ppm     Int.

    932.59  10.414   1000
    732.13   8.175    201
    723.49   8.079    322
    708.25   7.909    270
    707.89   7.905    294
    705.91   7.882    406
    705.54   7.878    347
    696.39   7.776    355
    693.97   7.749    247
    687.74   7.680    217
    685.40   7.653    172

in CDCl3