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返回ChemicalBook首页>CAS数据库列表>6628-86-0更多图谱> 5-氯-2-硝基苯甲醛(6628-86-0)红外图谱(IR3)

6628-86-0

5-氯-2-硝基苯甲醛(6628-86-0)红外图谱(IR3)

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

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    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

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

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CCl4 solution

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KBr disc

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nujol mull

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4880 A,200 M,powder

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