Product Name3-Fluorobenzaldehyde
CAS456-48-4
Molecular FormulaC7H5FO
Molecular Weight124.11
InChIInChI=1S/C7H5FO/c8-7-3-1-2-6(4-7)5-9/h1-5H
InChIKey PIKNVEVCWAAOMJ-UHFFFAOYSA-N
SmilesC(=O)C1=CC=CC(F)=C1
Mass
MS-NW-1490 m-fluorobenzaldehyde C7H5FO (Mass of molecular ion: 124)
Source Temperature: 250 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 2.3 26.0 1.0 27.0 1.6 28.0 3.1 29.0 6.5 31.0 3.4 37.0 5.2 38.0 4.3 39.0 6.5 44.0 1.0 45.0 1.8 49.0 3.5 50.0 23.2 51.0 11.4 52.0 1.5 56.0 1.3 57.0 6.1 61.0 3.9 62.0 4.4 63.0 5.5 68.0 7.5 69.0 11.2 70.0 16.4 73.0 2.5 74.0 11.8 75.0 36.2 76.0 5.6 77.0 2.2 81.0 1.9 83.0 1.2 92.0 1.6 93.0 2.5 94.0 8.7 95.0 95.7 96.0 25.8 97.0 2.8 107.0 2.0 108.0 1.4 109.0 5.6 122.0 1.1 123.0 100.0 124.0 93.7 125.0 8.0 126.0 1.1 140.0 7.6 187.0 1.6 189.0 1.5
400 MHz in CDCl3
90 MHz in CDCl3
1H NMR | 399.65 MHz |
C7 H5 F O | 0.05 ml : 0.5 ml CDCl3 |
m-fluorobenzaldehyde |
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Assign. Shift(ppm) |
Hz ppm Int.
3996.12 10.000 1000 3994.14 9.995 949 3076.02 7.697 355 3074.80 7.694 472 3073.43 7.691 350 3068.39 7.678 430 3067.32 7.676 583 3065.95 7.672 433 3025.51 7.571 310 3024.44 7.568 329 3023.99 7.567 310 3023.22 7.565 347 3022.77 7.564 355 3021.70 7.561 539 3016.82 7.549 604 3015.75 7.546 374 3014.07 7.542 581 3013.46 7.541 497 3008.58 7.529 368 3005.83 7.522 258 3000.64 7.509 256 2939.91 7.357 267 2938.84 7.354 267 2937.16 7.350 234 2936.10 7.347 227 2933.81 7.341 43 2931.67 7.336 425 2930.60 7.333 422 2928.92 7.329 382 2927.86 7.327 395 2925.42 7.320 34 2923.43 7.315 193 2922.21 7.312 209 2920.68 7.309 195 2919.62 7.306 189
1H NMR | 89.56 MHz |
C7 H5 F O | 0.04 ml : 0.5 ml CDCl3 |
m-fluorobenzaldehyde |
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Assign. Shift(ppm) |
Hz ppm Int.
896.26 10.008 973 894.29 9.986 898 712.28 7.954 103 705.10 7.873 138 703.56 7.856 151 702.91 7.849 88 701.07 7.828 92 700.42 7.821 91 694.41 7.754 134 693.68 7.746 157 693.16 7.740 124 692.36 7.731 283 690.97 7.716 185 690.53 7.711 181 687.08 7.672 254 686.28 7.663 341 685.84 7.658 487 684.96 7.649 560 683.86 7.636 1000 682.69 7.623 272 681.81 7.613 235 681.45 7.609 274 680.71 7.601 483 680.05 7.594 297 679.25 7.585 320 678.74 7.579 221 676.83 7.558 381 676.46 7.554 357 676.10 7.550 274 675.73 7.546 267 675.37 7.541 265 674.71 7.534 263 674.05 7.527 263 673.39 7.519 226 672.36 7.508 540 671.48 7.498 653 670.75 7.490 413 669.80 7.479 202 669.43 7.475 185 668.92 7.469 160 668.63 7.466 149 665.70 7.434 399 665.04 7.426 117 664.45 7.420 232 663.65 7.411 526 661.82 7.390 117 661.08 7.382 288 657.50 7.342 383 655.88 7.324 409 655.44 7.319 298 655.08 7.315 267 653.25 7.294 322 651.93 7.280 132 651.42 7.274 105 649.29 7.250 147 647.97 7.236 135 646.95 7.224 139 645.41 7.207 133
in CDCl3
liquid film
3-Fluorobenzaldehyde(456-48-4) IR1 Atlas of Related Products
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