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Back ChemicalBook Home>CAS DataBase List>34052-37-4More Spectrum> 2-Chloro-5-nitrobenzophenone(34052-37-4) 13C NMR

2-Chloro-5-nitrobenzophenone(34052-37-4) 13C NMR

Molecular FormulaC13H8ClNO3

Molecular Weight261.66

InChIInChI=1S/C13H8ClNO3/c14-12-7-6-10(15(17)18)8-11(12)13(16)9-4-2-1-3-5-9/h1-8H

InChIKey HRPHZUAPQWJPCZ-UHFFFAOYSA-N

SmilesC(C1=CC([N+]([O-])=O)=CC=C1Cl)(C1=CC=CC=C1)=O


  • Mass

    MS-NW-9692          
    2-chloro-5-nitrobenzophenone
    C13H8ClNO3          (Mass of molecular ion:    261)
    

       Source Temperature: 130 °C
       Sample Temperature:  80 °C
       Direct, 75 eV
    

          18.0       4.4
          50.0       1.9
          51.0       6.8
          74.0       1.7
          75.0       3.6
          76.0       3.1
          77.0      33.3
          78.0       2.3
         105.0     100.0
         106.0       7.8
         110.0       3.3
         112.0       1.0
         138.0       5.2
         140.0       1.8
         150.0       1.0
         151.0       1.3
         152.0       1.4
         184.0       6.0
         186.0       2.2
         261.0      23.4
         262.0       3.5
         263.0       8.0
         264.0       1.1
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C13 H8 Cl N O3 0.033 g : 0.5 ml CDCl3
    2-chloro-5-nitrobenzophenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.308 B 8.265 C 7.805 D 7.68 E 7.67 F 7.516

         Hz     ppm     Int.
    

       3326.54   8.324    411
       3323.73   8.317    503
       3321.53   8.312     45
       3321.04   8.310     45
       3317.75   8.302    423
       3315.06   8.295    594
       3313.23   8.291     49
       3312.87   8.290     49
       3311.04   8.285     35
       3308.84   8.280     48
       3304.44   8.269    900
       3301.76   8.262    677
       3124.15   7.818    686
       3122.80   7.814    707
       3117.68   7.802    282
       3115.72   7.797    822
       3114.38   7.793    714
       3072.27   7.688   1000
       3066.41   7.673    235
       3064.70   7.669    596
       3063.48   7.666    904
       3058.59   7.654    228
       3057.25   7.650    317
       3056.03   7.647    155
       3011.35   7.535    595
       3009.52   7.531    245
       3003.54   7.516    805
       3003.05   7.515    748
       3001.83   7.512    257
       2997.31   7.500    203
       2995.61   7.496    406
       2994.14   7.492     97
    

in CDCl3



KBr disc



nujol mull



2-Chloro-5-nitrobenzophenone(34052-37-4) 13C NMR Atlas of Related Products

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