2-Chloro-5-nitrobenzophenone(34052-37-4) IR1
Product Name2-Chloro-5-nitrobenzophenone
CAS34052-37-4
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
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MassMS-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
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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
KBr disc
nujol mull
