34052-37-4

2-氯-5-硝基二苯甲酮(34052-37-4)質(zhì)譜(MS)

產(chǎn)品名稱:2-氯-5-硝基二苯甲酮

CAS:34052-37-4

分子式:C13H8ClNO3

分子量: 261.66

InChI:InChI=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

Smiles:C(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

    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