2-Bromonaphthalene(580-13-2) IR2
Product Name2-Bromonaphthalene
CAS580-13-2
Molecular FormulaC10H7Br
Molecular Weight207.07
InChIInChI=1S/C10H7Br/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKey APSMUYYLXZULMS-UHFFFAOYSA-N
SmilesC1=C2C(C=CC=C2)=CC=C1Br
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MassMS-NW-1816 2-bromonaphthalene C10H7Br (Mass of molecular ion: 206)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 2.8 27.0 1.5 37.0 1.7 38.0 3.0 39.0 4.1 49.0 1.5 50.0 13.1 51.0 12.7 52.0 1.7 61.0 4.0 62.0 7.7 63.0 19.3 64.0 1.5 73.0 1.7 74.0 15.2 75.0 16.2 76.0 9.0 77.0 17.8 78.0 1.1 85.0 1.8 86.0 4.0 87.0 5.8 88.0 1.1 98.0 5.7 99.0 4.9 100.0 4.1 101.0 11.7 102.0 1.2 103.0 3.7 104.0 3.6 122.0 1.1 125.0 2.3 126.0 27.8 127.0 100.0 128.0 11.1 206.0 68.3 207.0 8.0 208.0 66.0 209.0 7.6
parameter in CCl4
400 MHz in CDCl3
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1H NMR 300 MHz C10 H7 Br 0.48 M in CCl4 2-bromonaphthalene 
Parameter ppm Hz
D(A) 7.902 D(B) 7.456 D(C) 7.584 D(D) 7.594 D(E) 7.373 D(F) 7.388 D(G) 7.681 J(A,B) 1.95 J(A,C) 0.4 J(A,D) 0. J(A,E) 0.0 J(A,F) 0.0 J(A,G) 0.0 J(B,C) 8.7 J(B,D) 0.0 J(B,E) 0.0 J(B,F) 0.0 J(B,G) 0.0 J(C,D) 0.0 J(C,E) 0.0 J(C,F) 0.0 J(C,G) 0. J(D,E) 7.8 J(D,F) 1.45 J(D,G) 1.1 J(E,F) 6.7 J(E,G) 1.4 J(F,G) 8.2 LUCCHINI,V. & WELLS,P.R. ORG.MAGN.RESON. 8, 137 (1976)
Hz ppm Int.2371.50 7.905 825 2369.69 7.899 851 2312.72 7.709 49 2309.85 7.699 258 2308.77 7.696 279 2306.48 7.688 300 2305.77 7.686 271 2304.40 7.681 238 2301.39 7.671 319 2300.26 7.668 341 2299.17 7.664 347 2297.42 7.658 79 2293.58 7.645 25 2285.25 7.617 60 2283.60 7.612 278 2282.50 7.608 289 2281.25 7.604 355 2280.09 7.600 669 2278.28 7.594 303 2277.45 7.591 325 2276.71 7.589 354 2274.34 7.581 382 2273.25 7.577 377 2271.38 7.571 1000 2241.62 7.472 675 2239.70 7.466 654 2232.92 7.443 431 2230.99 7.437 423 2226.16 7.421 65 2223.82 7.413 160 2219.47 7.398 586 2217.80 7.393 675 2217.20 7.391 576 2213.86 7.380 904 2210.90 7.370 482 2209.79 7.366 517 2208.66 7.362 483 2204.22 7.347 118 2201.97 7.340 45
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1H NMR 399.65 MHz C10 H7 Br 0.036 g : 0.5 ml CDCl3 2-bromonaphthalene Assign. Shift(ppm)
A 7.985 B 7.782 C 7.720 D 7.681 E 7.528 F 7.483 G 7.465
Hz ppm Int.3192.38 7.988 851 3191.41 7.986 763 3190.80 7.984 879 3190.43 7.984 888 3115.60 7.796 383 3110.35 7.783 377 3109.50 7.781 323 3106.20 7.773 448 3103.03 7.765 100 3101.44 7.761 57 3100.71 7.759 56 3099.00 7.755 48 3094.12 7.743 91 3091.06 7.735 365 3090.70 7.734 374 3086.43 7.723 416 3081.54 7.711 462 3081.18 7.710 464 3078.61 7.704 137 3074.71 7.694 732 3065.92 7.672 941 3017.33 7.550 37 3013.67 7.541 823 3011.72 7.536 829 3009.16 7.530 54 3005.00 7.520 659 3003.05 7.515 665 2999.15 7.505 116 2996.70 7.499 223 2994.14 7.492 145 2992.19 7.488 878 2991.21 7.485 1000 2989.87 7.482 715 2987.30 7.475 902 2986.57 7.473 889 2984.01 7.467 713 2982.54 7.463 812 2981.81 7.462 871 2977.17 7.450 206 2974.85 7.444 96 2971.68 7.436 38 2970.09 7.432 39 2969.36 7.430 38
in CDCl3
KBr disc
nujol mull
