2-NITROFLUORENONE(3096-52-4) 13C NMR
Product Name2-NITROFLUORENONE
CAS3096-52-4
Molecular FormulaC13H7NO3
Molecular Weight225.2
InChIInChI=1S/C13H7NO3/c15-13-11-4-2-1-3-9(11)10-6-5-8(14(16)17)7-12(10)13/h1-7H
InChIKey AJEAHBZZHSLIQP-UHFFFAOYSA-N
SmilesC1(=O)C2=C(C=CC=C2)C2=C1C=C([N+]([O-])=O)C=C2
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MassMS-NW-2157 2-nitro-9-fluorenone C13H7NO3 (Mass of molecular ion: 225)
Source Temperature: 200 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 1.8 28.0 2.7 30.0 1.9 39.0 1.2 50.0 2.0 51.0 3.2 61.0 1.0 62.0 2.4 63.0 2.2 74.0 4.5 75.0 9.5 75.5 4.9 76.0 2.4 77.0 3.1 86.0 1.6 87.0 1.9 98.0 2.6 99.0 2.8 100.0 1.3 101.0 2.2 111.0 1.0 125.0 4.1 139.0 10.7 140.0 1.3 149.0 1.8 150.0 22.8 151.0 63.1 152.0 8.4 164.0 1.4 165.0 3.1 167.0 8.3 168.0 1.1 179.0 22.4 180.0 3.2 195.0 23.1 196.0 3.5 209.0 1.0 211.0 2.9 225.0 100.0 226.0 14.4 227.0 1.6
400 MHz in DMSO-d6 at 50C
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1H NMR 399.65 MHz C13 H7 N O3 saturated in DMSO-d6 at 50 C 2-nitro-9-fluorenone 
Assign. Shift(ppm)
A 8.487 B 8.237 C 8.085 D 8.001 E 7.75 F 7.73 G 7.535
Hz ppm Int.3402.40 8.514 33 3401.79 8.512 38 3401.03 8.511 48 3397.22 8.501 325 3394.93 8.495 339 3392.33 8.489 84 3388.98 8.480 352 3386.84 8.475 354 3383.03 8.465 30 3301.39 8.261 30 3300.93 8.260 33 3300.32 8.259 32 3299.56 8.257 41 3298.95 8.255 43 3292.85 8.240 625 3290.86 8.235 593 3243.56 8.117 32 3243.10 8.115 33 3242.49 8.114 32 3241.58 8.112 36 3239.14 8.105 68 3235.32 8.096 558 3231.96 8.087 78 3231.35 8.086 80 3227.08 8.075 514 3222.96 8.065 45 3221.74 8.062 39 3221.28 8.061 38 3220.83 8.060 38 3220.21 8.058 38 3219.76 8.057 33 3208.62 8.029 33 3208.01 8.028 32 3207.40 8.026 32 3206.79 8.024 39 3205.41 8.021 54 3201.45 8.011 396 3197.63 8.002 87 3194.12 7.993 430 3106.38 7.773 30 3103.18 7.765 48 3102.72 7.764 51 3096.92 7.750 714 3089.60 7.731 1000 3085.17 7.720 90 3082.43 7.713 243 3078.00 7.702 35 3023.22 7.565 33 3022.46 7.563 43 3019.10 7.555 278 3018.65 7.554 278 3015.29 7.545 75 3011.32 7.535 452 3007.35 7.525 65 3004.15 7.517 193 3001.25 7.510 38
in DMSO-d6
KBr disc
nujol mull
