2-Bromobenzaldehyde(6630-33-7) 1H NMR
Product Name2-Bromobenzaldehyde
CAS6630-33-7
Molecular FormulaC7H5BrO
Molecular Weight185.02
InChIInChI=1S/C7H5BrO/c8-7-4-2-1-3-6(7)5-9/h1-5H
InChIKey NDOPHXWIAZIXPR-UHFFFAOYSA-N
SmilesC(=O)C1=CC=CC=C1Br
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MassMS-NW-3127 o-bromobenzaldehyde C7H5BrO (Mass of molecular ion: 184)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 2.3 28.0 1.0 29.0 4.3 37.0 5.2 38.0 8.1 39.0 3.2 49.0 4.2 50.0 39.6 51.0 24.1 52.0 2.9 60.0 1.1 61.0 2.2 62.0 2.3 63.0 1.8 73.0 3.8 74.0 16.7 75.0 24.8 76.0 49.9 77.0 35.7 78.0 2.3 79.0 1.7 81.0 1.0 89.0 1.0 91.0 2.3 104.0 15.2 105.0 1.6 155.0 32.2 156.0 5.6 157.0 31.7 158.0 5.3 170.0 1.2 172.0 1.7 183.0 96.7 184.0 85.8 185.0 100.0 186.0 83.0 187.0 6.3
90 MHz in CDCl3
parameter in CDCl3
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1H NMR 89.56 MHz C7 H5 Br O 0.05 ml : 0.5 ml CDCl3 o-bromobenzaldehyde 
Assign. Shift(ppm)
A 10.341 B 7.89 C 7.63 D 7.43
Hz ppm Int.926.59 10.347 1000 926.22 10.342 725 925.78 10.337 889 711.91 7.949 344 711.40 7.944 368 708.40 7.910 225 707.45 7.900 218 705.91 7.882 480 702.47 7.844 485 701.95 7.838 495 698.95 7.805 64 688.84 7.692 239 688.33 7.686 268 685.47 7.654 184 684.89 7.648 186 684.52 7.644 189 683.79 7.635 201 683.50 7.632 196 682.10 7.617 206 681.81 7.613 209 679.47 7.587 697 678.96 7.582 608 676.03 7.549 177 675.22 7.540 101 674.85 7.536 66 672.80 7.513 227 672.36 7.508 113 671.70 7.501 111 669.21 7.473 747 668.92 7.469 796 668.26 7.462 644 665.70 7.434 701 665.26 7.429 323 664.60 7.421 373 663.35 7.407 391 662.77 7.401 425 662.04 7.393 346 659.69 7.366 358 659.40 7.363 386 655.66 7.321 57 654.93 7.313 62 653.32 7.295 53
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1H NMR 300 MHz C7 H5 Br O 10 wt% in CCl4 o-bromobenzaldehyde Parameter ppm Hz
D(A) 7.59 D(B) 7.39 D(C) 7.39 D(D) 7.86 J(A,B) 8.12 J(A,C) 1.03 J(A,D) 0.38 J(B,C) 7.33 J(B,D) 1.95 J(C,D) 7.67 D(E) 10.29 SMITH,W.B. ET AL. J.AM.CHEM.SOC. 94, 1959 (1972)
Hz ppm Int.3087.01 10.290 1000 2366.63 7.889 20 2362.91 7.876 189 2359.31 7.864 218 2357.16 7.857 161 2356.72 7.856 161 2353.31 7.844 216 2349.67 7.832 25 2286.06 7.620 22 2285.56 7.619 23 2281.88 7.606 168 2278.46 7.595 168 2276.12 7.587 181 2272.74 7.576 226 2268.77 7.563 53 2225.31 7.418 72 2221.51 7.405 546 2218.01 7.393 395 2215.62 7.385 428 2212.12 7.374 448 2208.32 7.361 56
in CDCl3
liquid film
