1-Fluoro-2-nitrobenzene(1493-27-2) 13C NMR
Product Name1-Fluoro-2-nitrobenzene
CAS1493-27-2
Molecular FormulaC6H4FNO2
Molecular Weight141.1
InChIInChI=1S/C6H4FNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H
InChIKey PWKNBLFSJAVFAB-UHFFFAOYSA-N
SmilesC1(F)=CC=CC=C1[N+]([O-])=O
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MassMS-NW-1006 o-fluoronitrobenzene C6H4FNO2 (Mass of molecular ion: 141)
Source Temperature: 260 °C Sample Temperature: 130 °C Reservoir, 75 eV
18.0 2.3 26.0 1.4 27.0 2.7 28.0 5.3 30.0 50.0 31.0 5.6 32.0 1.0 37.0 5.1 38.0 4.8 39.0 6.6 41.0 1.2 42.0 1.0 43.0 1.8 45.0 2.2 46.0 1.8 49.0 2.7 50.0 19.0 51.0 13.1 52.0 1.1 56.0 2.6 57.0 19.6 58.0 1.0 61.0 3.3 62.0 3.8 63.0 5.7 64.0 1.2 68.0 11.2 69.0 18.6 70.0 1.1 73.0 2.2 74.0 13.1 75.0 100.0 76.0 8.1 81.0 2.0 82.0 2.4 83.0 64.1 84.0 3.8 92.0 2.1 93.0 3.4 94.0 10.1 95.0 98.0 96.0 6.6 111.0 41.7 112.0 2.9 125.0 4.8 141.0 91.6 142.0 6.6
parameter in CCl4
90 MHz in CDCl3
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1H NMR 300 MHz C6 H4 F N O2 10 vol% in CCl4 o-fluoronitrobenzene 
Parameter ppm Hz
D(A) 8.03 D(B) 7.33 D(C) 7.66 D(D) 7.31 D(X) -4.27 J(A,B) 8.18 J(A,C) 1.75 J(A,D) 0.31 J(A,X) 7.59 J(B,C) 7.40 J(B,D) 1.27 J(B,X) -0.93 J(C,D) 8.30 J(C,X) 4.35 J(D,X) 10.68 ROARK,J.L. & SMITH,W.B. J.PHYS.CHEM. 73, 1046 (1969) F-19 REFERENCE : 1,1,2,2-TETRACHLORO-3,3,4,4-TETRAFLUOROCYCLOBUTANE
Hz ppm Int.2417.99 8.060 455 2416.15 8.054 459 2413.99 8.047 76 2413.56 8.045 75 2412.56 8.042 57 2409.57 8.032 691 2408.00 8.027 679 2402.00 8.007 452 2400.30 8.001 486 2309.19 7.697 227 2307.44 7.691 227 2304.71 7.682 254 2302.94 7.676 278 2301.65 7.672 351 2301.04 7.670 365 2300.13 7.667 330 2299.08 7.664 310 2297.30 7.658 315 2296.55 7.655 346 2295.58 7.652 339 2294.88 7.650 339 2293.52 7.645 341 2291.76 7.639 311 2289.08 7.630 315 2287.41 7.625 299 2207.88 7.360 305 2206.49 7.355 431 2205.64 7.352 470 2202.95 7.343 623 2201.66 7.339 622 2200.49 7.335 410 2198.33 7.328 934 2194.70 7.316 501 2193.33 7.311 597 2192.32 7.308 816 2190.95 7.303 1000 2184.14 7.280 475 2182.67 7.276 410
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1H NMR 89.56 MHz C6 H4 F N O2 0.04 ml : 0.5 ml CDCl3 o-fluoronitrobenzene Assign. Shift(ppm)
A 8.061 B 7.651 C 7.44 to 7.18
Hz ppm Int.731.25 8.165 149 730.38 8.156 146 729.31 8.144 234 723.63 8.080 309 721.31 8.054 392 715.88 7.994 211 713.69 7.969 292 693.75 7.747 143 691.81 7.725 215 689.25 7.696 338 687.94 7.682 260 686.25 7.663 279 685.63 7.656 224 684.06 7.639 309 682.56 7.622 375 680.69 7.601 344 678.13 7.572 374 676.19 7.551 327 664.00 7.415 497 663.50 7.409 616 662.50 7.398 1000 655.75 7.322 532 654.69 7.311 911 653.38 7.296 583 652.88 7.290 494 651.88 7.279 362 648.38 7.240 184 647.56 7.231 215 646.88 7.223 195 646.06 7.214 188 645.25 7.205 251 643.75 7.188 228
in CDCl3
liquid film
4880 A,200 M,liquid
